N-[(3-chlorophenyl)methyl]-2-[(cyanomethyl)sulfanyl]-3-cyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-2-[(cyanomethyl)sulfanyl]-3-cyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
N-[(3-chlorophenyl)methyl]-2-[(cyanomethyl)sulfanyl]-3-cyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
Compound ID: | A0016054 |
Compound Name: | N-[(3-chlorophenyl)methyl]-2-[(cyanomethyl)sulfanyl]-3-cyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
Molecular Weight: | 466.99 |
Molecular Formula: | C24 H23 Cl N4 O2 S |
Smiles: | C1CCC(CC1)N1C(=Nc2cc(ccc2C1=O)C(NCc1cccc(c1)[Cl])=O)SCC#N |
Stereo: | ACHIRAL |
logP: | 4.3392 |
logD: | 4.3392 |
logSw: | -4.6253 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 67.169 |
InChI Key: | HINAQUVETBOUBE-UHFFFAOYSA-N |