N-[3-(propan-2-yl)phenyl]-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[3-(propan-2-yl)phenyl]-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-[3-(propan-2-yl)phenyl]-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C201-1776 |
| Compound Name: | N-[3-(propan-2-yl)phenyl]-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 428.56 |
| Molecular Formula: | C25 H24 N4 O S |
| Smiles: | CC(C)c1cccc(c1)NC(CSC1CC(c2ccccn2)=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9681 |
| logD: | 4.9668 |
| logSw: | -4.573 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.387 |
| InChI Key: | FJRYSJCATOZZRR-UHFFFAOYSA-N |