N-(3,4-dimethylphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(3,4-dimethylphenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C201-1958 |
| Compound Name: | N-(3,4-dimethylphenyl)-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(cc1C)NC(CSC1CC(c2ccccn2)=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6057 |
| logD: | 4.6045 |
| logSw: | -4.3812 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.387 |
| InChI Key: | OMJBQFFYBXKFNA-UHFFFAOYSA-N |