N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | C200-6658 |
| Compound Name: | N-[4-chloro-2-(trifluoromethyl)phenyl]-2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}acetamide |
| Molecular Weight: | 517.96 |
| Molecular Formula: | C25 H19 Cl F3 N3 O2 S |
| Smiles: | COc1cccc(c1)C1CC(=Nc2ccccc2N=1)SCC(Nc1ccc(cc1C(F)(F)F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 6.0157 |
| logD: | 6.0148 |
| logSw: | -6.0291 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.185 |
| InChI Key: | CBNXNIQDLPGHDP-UHFFFAOYSA-N |