Verosudil

CAT: 0926-PGC85442-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-PGC85442-02Size:10 mg

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CAS Number

1414854-42-4

MDL Number

MFCD28502135

Smiles

C1CSCN1C2=C (C=C (C=C2) [N+] (=O) [O-]) F

Molecular Formula

C17H17N3O2S

Molecular Weight

327.4 g/mol

Controlled

Chemical Information

Verosudil

a Rho kinase inhibitor

CAS Number	1414854-42-4
PubChem CID	66906051
IUPAC Name	2-(dimethylamino)-N-(1-oxo-2H-isoquinolin-6-yl)-2-thiophen-3-ylacetamide
Molecular Formula	C17H17N3O2S
Molecular Weight	327.4
XLogP	2
Topological Polar Surface Area	89.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	23
Formal Charge	0
Complexity	494

SMILES

CN(C)C(C1=CSC=C1)C(=O)NC2=CC3=C(C=C2)C(=O)NC=C3

InChI

InChI=1S/C17H17N3O2S/c1-20(2)15(12-6-8-23-10-12)17(22)19-13-3-4-14-11(9-13)5-7-18-16(14)21/h3-10,15H,1-2H3,(H,18,21)(H,19,22)

InChIKey

VDYRZXYYQMMFJW-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1414854-42-4

CID: 66906051

Formula: C17H17N3O2S

MW: 327.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	327.4
XLogP3	2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	327.10414797
Monoisotopic Mass	327.10414797
Topological Polar Surface Area	89.7 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	494
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes