이름: 3-[(4-aminocyclohexanecarbonyl)amino]-N-(4-chlorophenyl)-1-benzofuran-2-carboxamide

SMILES: C1CC(CCC1C(=O)NC2=C(OC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)Cl)N

Molecular Processing

Molecular formula

C22H22ClN3O3

Molecular weight

411.89

Exact mass

411.135

XLogP

4.79

TPSA

97.36

H-bond donors

H-bond acceptors

Rotatable bonds

Heavy atoms

Rings

Aromatic rings

Saturated rings

Aliphatic rings

Stereo centers

Undefined stereo

Formal charge

Heteroatoms

Covalent units

Fraction Csp3

0.273

Molar refractivity

114.18

Supplementary Information

InChIKey: GPIAGZUCYQEBKB-UHFFFAOYSA-N

동의어

SCHEMBL13744413