N-(3-chlorophenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(3-chlorophenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C201-1817 |
| Compound Name: | N-(3-chlorophenyl)-2-{[4-(pyridin-2-yl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 420.92 |
| Molecular Formula: | C22 H17 Cl N4 O S |
| Smiles: | C1C(c2ccccn2)=Nc2ccccc2N=C1SCC(Nc1cccc(c1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.3719 |
| logD: | 4.3705 |
| logSw: | -4.4363 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.387 |
| InChI Key: | OIIUMLQJOHWYFZ-UHFFFAOYSA-N |