N-[2-(4-chlorophenyl)ethyl]-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-[2-(4-chlorophenyl)ethyl]-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C201-1832 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 448.97 |
| Molecular Formula: | C24 H21 Cl N4 O S |
| Smiles: | C(CNC(CSC1CC(c2ccccn2)=Nc2ccccc2N=1)=O)c1ccc(cc1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6691 |
| logD: | 3.662 |
| logSw: | -4.1559 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.55 |
| InChI Key: | RBJMPOMXFQNJHY-UHFFFAOYSA-N |