ROCK inhibitor-2

CAT: 0957-E0048-01Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0957-E0048-01Size:5 mg

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Description

ROCK1ROCK2

CAS Number

1127308-52-4

Molecular Formula

C21H20N2O2

Chemical Information

ROCK inhibitor-2

CAS Number	1127308-52-4
PubChem CID	51003130
IUPAC Name	N-[(1R)-1-(3-methoxyphenyl)ethyl]-4-pyridin-4-ylbenzamide
Molecular Formula	C21H20N2O2
Molecular Weight	332.4
XLogP	3.6
Topological Polar Surface Area	51.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Heavy Atom Count	25
Formal Charge	0
Complexity	414

SMILES

C[C@H](C1=CC(=CC=C1)OC)NC(=O)C2=CC=C(C=C2)C3=CC=NC=C3

InChI

InChI=1S/C21H20N2O2/c1-15(19-4-3-5-20(14-19)25-2)23-21(24)18-8-6-16(7-9-18)17-10-12-22-13-11-17/h3-15H,1-2H3,(H,23,24)/t15-/m1/s1

InChIKey

JRVSFZKYQCETAH-OAHLLOKOSA-N

Chemical Structure

2D Structure

CAS: 1127308-52-4

CID: 51003130

Formula: C21H20N2O2

MW: 332.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	332.4
XLogP3	3.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	5
Exact Mass	332.152477885
Monoisotopic Mass	332.152477885
Topological Polar Surface Area	51.2 Å²
Heavy Atom Count	25
Formal Charge	0
Complexity	414
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