2-{[(3-chlorophenyl)methyl]sulfanyl}-N,3-dicyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[(3-chlorophenyl)methyl]sulfanyl}-N,3-dicyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[(3-chlorophenyl)methyl]sulfanyl}-N,3-dicyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0016237 |
| Compound Name: | 2-{[(3-chlorophenyl)methyl]sulfanyl}-N,3-dicyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 510.1 |
| Molecular Formula: | C28 H32 Cl N3 O2 S |
| Smiles: | C1CCC(CC1)NC(c1ccc2C(N(C3CCCCC3)C(=Nc2c1)SCc1cccc(c1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.6435 |
| logD: | 6.6435 |
| logSw: | -6.4572 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.131 |
| InChI Key: | VAQLRJFHVSTVKI-UHFFFAOYSA-N |