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MMV688845

CAT: 0607-BA4023-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0607-BA4023-5Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2208962-35-8
Form
A solid
Molecular Formula
C24H25N3O3S
Molecular Weight
435.54
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

CID 122196547
CAS Number2208962-35-8
PubChem CID122196547
IUPAC NameN-[(2R)-1-(2-morpholin-4-ylanilino)-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
Molecular FormulaC24H25N3O3S
Molecular Weight435.5
XLogP3.9
Topological Polar Surface Area98.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Heavy Atom Count31
Formal Charge0
Complexity593
SMILES
C1COCCN1C2=CC=CC=C2NC(=O)[C@@H](CC3=CC=CC=C3)NC(=O)C4=CC=CS4
InChI
InChI=1S/C24H25N3O3S/c28-23(25-19-9-4-5-10-21(19)27-12-14-30-15-13-27)20(17-18-7-2-1-3-8-18)26-24(29)22-11-6-16-31-22/h1-11,16,20H,12-15,17H2,(H,25,28)(H,26,29)/t20-/m1/s1
InChIKey
YZLODHPDCSNHTP-HXUWFJFHSA-N
Chemical Structure
2D Structure
2D structure of CID 122196547
CAS: 2208962-35-8
CID: 122196547
Formula: C24H25N3O3S
MW: 435.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight435.5
XLogP33.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count7
Exact Mass435.16166284
Monoisotopic Mass435.16166284
Topological Polar Surface Area98.9 Ų
Heavy Atom Count31
Formal Charge0
Complexity593
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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CatalogName
MBS5815433MMV688845

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