N-(2-chloro-4-methylphenyl)-2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(2-chloro-4-methylphenyl)-2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(2-chloro-4-methylphenyl)-2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C200-6676 |
| Compound Name: | N-(2-chloro-4-methylphenyl)-2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 463.98 |
| Molecular Formula: | C25 H22 Cl N3 O2 S |
| Smiles: | Cc1ccc(c(c1)[Cl])NC(CSC1CC(c2cccc(c2)OC)=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.4348 |
| logD: | 5.4339 |
| logSw: | -5.9117 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.185 |
| InChI Key: | YFSXLSKYSLUTOB-UHFFFAOYSA-N |