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RO5353

CAT: 0013-GTR19196557-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196557-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
RO5353
CAS Number
1360821-61-9
Field of Research
Cell Biology
Smiles
C (C (C) (C) C) [C@H]1[C@@]2 ([C@H] ([C@H] (C (NC3=C (OC) C=C (C (N) =O) C=C3) =O) N1) C4=C (F) C (Cl) =CC=C4) C5=C (NC2=O) C=C (Cl) S5
Molecular Formula
C29H29Cl2FN4O4S
Molecular Weight
619.53
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(2s,3r,4r,5r)-N-(4-Carbamoyl-2-Methoxyphenyl)-2'-Chloro-4-(3-Chloro-2-Fluorophenyl)-2-(2,2-Dimethylpropyl)-5'-Oxo-4',5'-Dihydrospiro[pyrrolidine-3,6'-Thieno[3,2-B]pyrrole]-5-Carboxamide
CAS Number1360821-61-9
PubChem CID56649312
IUPAC Name(2'R,3'R,5'S,6R)-N-(4-carbamoyl-2-methoxyphenyl)-2-chloro-3'-(3-chloro-2-fluorophenyl)-5'-(2,2-dimethylpropyl)-5-oxospiro[4H-thieno[3,2-b]pyrrole-6,4'-pyrrolidine]-2'-carboxamide
Molecular FormulaC29H29Cl2FN4O4S
Molecular Weight619.5
XLogP5.1
Topological Polar Surface Area151
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Heavy Atom Count41
Formal Charge0
Complexity1040
SMILES
CC(C)(C)C[C@H]1[C@@]2([C@H]([C@@H](N1)C(=O)NC3=C(C=C(C=C3)C(=O)N)OC)C4=C(C(=CC=C4)Cl)F)C5=C(C=C(S5)Cl)NC2=O
InChI
InChI=1S/C29H29Cl2FN4O4S/c1-28(2,3)12-19-29(24-17(35-27(29)39)11-20(31)41-24)21(14-6-5-7-15(30)22(14)32)23(36-19)26(38)34-16-9-8-13(25(33)37)10-18(16)40-4/h5-11,19,21,23,36H,12H2,1-4H3,(H2,33,37)(H,34,38)(H,35,39)/t19-,21-,23+,29+/m0/s1
InChIKey
UOVSZRTTWLJPHE-HNXAPSNLSA-N
Chemical Structure
2D Structure
2D structure of (2s,3r,4r,5r)-N-(4-Carbamoyl-2-Methoxyphenyl)-2'-Chloro-4-(3-Chloro-2-Fluorophenyl)-2-(2,2-Dimethylpropyl)-5'-Oxo-4',5'-Dihydrospiro[pyrrolidine-3,6'-Thieno[3,2-B]pyrrole]-5-Carboxamide
CAS: 1360821-61-9
CID: 56649312
Formula: C29H29Cl2FN4O4S
MW: 619.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight619.5
XLogP35.1
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count7
Rotatable Bond Count7
Exact Mass618.1270601
Monoisotopic Mass618.1270601
Topological Polar Surface Area151 Ų
Heavy Atom Count41
Formal Charge0
Complexity1040
Isotope Atom Count0
Defined Atom Stereocenter Count4
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
HY-12580RO5353

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