2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide
2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C201-1816 |
| Compound Name: | 2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 454.47 |
| Molecular Formula: | C23 H17 F3 N4 O S |
| Smiles: | C1C(c2ccccn2)=Nc2ccccc2N=C1SCC(Nc1ccc(cc1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4911 |
| logD: | 4.4898 |
| logSw: | -4.517 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.387 |
| InChI Key: | JJXMJRVNIHCJLT-UHFFFAOYSA-N |