N-(3-chloro-4-fluorophenyl)-2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-fluorophenyl)-2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(3-chloro-4-fluorophenyl)-2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G681-0122 |
| Compound Name: | N-(3-chloro-4-fluorophenyl)-2-{[4-(4-methylphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 451.95 |
| Molecular Formula: | C24 H19 Cl F N3 O S |
| Smiles: | Cc1ccc(cc1)C1CC(=Nc2ccccc2N=1)SCC(Nc1ccc(c(c1)[Cl])F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8282 |
| logD: | 5.8169 |
| logSw: | -5.971 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.339 |
| InChI Key: | NRHQMZXXHCVSKX-UHFFFAOYSA-N |