2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-N-[(2-chlorophenyl)methyl]-3-cyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-N-[(2-chlorophenyl)methyl]-3-cyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-N-[(2-chlorophenyl)methyl]-3-cyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | A0016073 |
| Compound Name: | 2-{[(1H-benzimidazol-2-yl)methyl]sulfanyl}-N-[(2-chlorophenyl)methyl]-3-cyclohexyl-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 558.1 |
| Molecular Formula: | C30 H28 Cl N5 O2 S |
| Smiles: | C1CCC(CC1)N1C(=Nc2cc(ccc2C1=O)C(NCc1ccccc1[Cl])=O)SCc1nc2ccccc2[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 6.2648 |
| logD: | 6.2644 |
| logSw: | -6.0986 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.688 |
| InChI Key: | IYQOVQMYWBURLQ-UHFFFAOYSA-N |