N-benzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-3-cyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-benzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-3-cyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
N-benzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-3-cyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0016221 |
| Compound Name: | N-benzyl-2-{[(3-chlorophenyl)methyl]sulfanyl}-3-cyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 518.08 |
| Molecular Formula: | C29 H28 Cl N3 O2 S |
| Smiles: | C1CCC(CC1)N1C(=Nc2cc(ccc2C1=O)C(NCc1ccccc1)=O)SCc1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.3109 |
| logD: | 6.3108 |
| logSw: | -6.2279 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.406 |
| InChI Key: | DMOFXPOYFWXJIB-UHFFFAOYSA-N |