N-(3-chlorophenyl)-2-{[(3-chlorophenyl)methyl]sulfanyl}-3-cyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-{[(3-chlorophenyl)methyl]sulfanyl}-3-cyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
N-(3-chlorophenyl)-2-{[(3-chlorophenyl)methyl]sulfanyl}-3-cyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
Compound ID: | A0016227 |
Compound Name: | N-(3-chlorophenyl)-2-{[(3-chlorophenyl)methyl]sulfanyl}-3-cyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
Molecular Weight: | 538.5 |
Molecular Formula: | C28 H25 Cl2 N3 O2 S |
Smiles: | C1CCC(CC1)N1C(=Nc2cc(ccc2C1=O)C(Nc1cccc(c1)[Cl])=O)SCc1cccc(c1)[Cl] |
Stereo: | ACHIRAL |
logP: | 7.3985 |
logD: | 7.3892 |
logSw: | -6.568 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 48.084 |
InChI Key: | QIXWTMGIFWNFER-UHFFFAOYSA-N |