N-(2-methylphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-methylphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(2-methylphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C201-1948 |
| Compound Name: | N-(2-methylphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 400.5 |
| Molecular Formula: | C23 H20 N4 O S |
| Smiles: | Cc1ccccc1NC(CSC1CC(c2ccccn2)=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4132 |
| logD: | 3.4119 |
| logSw: | -3.7675 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.689 |
| InChI Key: | IBZOCSQPJXTMQM-UHFFFAOYSA-N |