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MI-1061

CAT: 0926-KGC73734-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0926-KGC73734-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1410737-34-6
Smiles
C1CCC2 (CC1) C3 (C (C (N2) C (=O) NC4=CC=C (C=C4) C (=O) O) C5=C (C (=CC=C5) Cl) F) C6=C (C=C (C=C6) Cl) NC3=O
Molecular Formula
C30H26Cl2FN3O4
Molecular Weight
582.4 g/mol
Controlled
No

Chemical Information

4-((3'R,4'S,5'R)-6''-Chloro-4'-(3-chloro-2-fluorophenyl)-2''-oxodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indoline]-5'-carboxamido)benzoic acid
CAS Number1410737-34-6
PubChem CID70677271
Molecular FormulaC30H26Cl2FN3O4
Molecular Weight582.4
XLogP2.9
Topological Polar Surface Area108
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Heavy Atom Count40
Formal Charge0
Complexity1000
SMILES
C1CCC2(CC1)[C@@]3([C@H]([C@@H](N2)C(=O)NC4=CC=C(C=C4)C(=O)O)C5=C(C(=CC=C5)Cl)F)C6=C(C=C(C=C6)Cl)NC3=O
InChI
InChI=1S/C30H26Cl2FN3O4/c31-17-9-12-20-22(15-17)35-28(40)30(20)23(19-5-4-6-21(32)24(19)33)25(36-29(30)13-2-1-3-14-29)26(37)34-18-10-7-16(8-11-18)27(38)39/h4-12,15,23,25,36H,1-3,13-14H2,(H,34,37)(H,35,40)(H,38,39)/t23-,25+,30+/m0/s1
InChIKey
BIDSEXPFIMKDMF-LOLKONATSA-N
Chemical Structure
2D Structure
2D structure of 4-((3'R,4'S,5'R)-6''-Chloro-4'-(3-chloro-2-fluorophenyl)-2''-oxodispiro[cyclohexane-1,2'-pyrrolidine-3',3''-indoline]-5'-carboxamido)benzoic acid
CAS: 1410737-34-6
CID: 70677271
Formula: C30H26Cl2FN3O4
MW: 582.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight582.4
XLogP32.9
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count6
Rotatable Bond Count4
Exact Mass581.1284399
Monoisotopic Mass581.1284399
Topological Polar Surface Area108 Ų
Heavy Atom Count40
Formal Charge0
Complexity1000
Isotope Atom Count0
Defined Atom Stereocenter Count3
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
HY-125858-01MI-1061
MBS5815942MI-1061 TFA
A18450-50MI-1061 50mg
A18450-10MI-1061 10mg
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A18450-25MI-1061 25mg
A18450-100MI-1061 100mg
A18450-5MI-1061 5mg
A18450-1MI-1061 1mg
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