N-[(4-methylphenyl)methyl]-2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamide
N-[(4-methylphenyl)methyl]-2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | G681-0061 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-[(4-phenyl-3H-1,5-benzodiazepin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 413.54 |
| Molecular Formula: | C25 H23 N3 O S |
| Smiles: | Cc1ccc(CNC(CSC2CC(c3ccccc3)=Nc3ccccc3N=2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.6743 |
| logD: | 4.6596 |
| logSw: | -4.3978 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.661 |
| InChI Key: | ZKHWWHAZYKQPNA-UHFFFAOYSA-N |