2-{[7,8-dimethyl-4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{[7,8-dimethyl-4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
2-{[7,8-dimethyl-4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | L389-0183 |
| Compound Name: | 2-{[7,8-dimethyl-4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[(4-methylphenyl)methyl]acetamide |
| Molecular Weight: | 455.62 |
| Molecular Formula: | C28 H29 N3 O S |
| Smiles: | Cc1ccc(CNC(CSC2CC(c3ccc(C)cc3)=Nc3cc(C)c(C)cc3N=2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 6.1554 |
| logD: | 6.0477 |
| logSw: | -5.443 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.661 |
| InChI Key: | IKNKIKWKCYXOIA-UHFFFAOYSA-N |