N-(3-chloro-4-methoxyphenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-(3-chloro-4-methoxyphenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | G681-0744 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-{[4-(4-fluorophenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 467.95 |
| Molecular Formula: | C24 H19 Cl F N3 O2 S |
| Smiles: | COc1ccc(cc1[Cl])NC(CSC1CC(c2ccc(cc2)F)=Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2143 |
| logD: | 5.2133 |
| logSw: | -5.7183 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.969 |
| InChI Key: | YNWZMVYHUZLBEY-UHFFFAOYSA-N |