N-(5-chloro-2-methylphenyl)-2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(5-chloro-2-methylphenyl)-2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G681-0514 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-2-{[4-(4-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 463.98 |
| Molecular Formula: | C25 H22 Cl N3 O2 S |
| Smiles: | Cc1ccc(cc1NC(CSC1CC(c2ccc(cc2)OC)=Nc2ccccc2N=1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.1142 |
| logD: | 5.1132 |
| logSw: | -5.5396 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.185 |
| InChI Key: | WIUZYBCRPNSSRF-UHFFFAOYSA-N |