N-[(4-methylphenyl)methyl]-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[(4-methylphenyl)methyl]-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-[(4-methylphenyl)methyl]-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C201-1957 |
| Compound Name: | N-[(4-methylphenyl)methyl]-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 414.53 |
| Molecular Formula: | C24 H22 N4 O S |
| Smiles: | Cc1ccc(CNC(CSC2CC(c3ccccn3)=Nc3ccccc3N=2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.723 |
| logD: | 3.716 |
| logSw: | -3.9888 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.709 |
| InChI Key: | KXXWDPBVYHHJFK-UHFFFAOYSA-N |