(S) -Vicadrostat

CAT: 0127-OR1101851-05Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1101851-05Size:100 mg

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CAS Number

1868065-22-8

Purity

98%

Smiles

O=C1C2=C (C[C@] (C) (O1) CO) N=CN2C3=CC (Cl) =C (C=C3) C#N

Chemical Information

(S)-Vicadrostat

CAS Number	1868065-22-8
PubChem CID	118676241
IUPAC Name	2-chloro-4-[(6S)-6-(hydroxymethyl)-6-methyl-4-oxo-7H-pyrano[3,4-d]imidazol-3-yl]benzonitrile
Molecular Formula	C15H12ClN3O3
Molecular Weight	317.72
XLogP	1.8
Topological Polar Surface Area	88.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Heavy Atom Count	22
Formal Charge	0
Complexity	508

SMILES

C[C@]1(CC2=C(C(=O)O1)N(C=N2)C3=CC(=C(C=C3)C#N)Cl)CO

InChI

InChI=1S/C15H12ClN3O3/c1-15(7-20)5-12-13(14(21)22-15)19(8-18-12)10-3-2-9(6-17)11(16)4-10/h2-4,8,20H,5,7H2,1H3/t15-/m0/s1

InChIKey

MCVIVPZYYMNCAW-HNNXBMFYSA-N

Chemical Structure

2D Structure

CAS: 1868065-22-8

CID: 118676241

Formula: C15H12ClN3O3

MW: 317.72

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	317.72
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	2
Exact Mass	317.0567189
Monoisotopic Mass	317.0567189
Topological Polar Surface Area	88.1 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	508
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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Catalog	Name
HY-163689-01	Vicadrostat