2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C200-6583 |
| Compound Name: | 2-{[4-(3-methoxyphenyl)-3H-1,5-benzodiazepin-2-yl]sulfanyl}-N-[2-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 483.51 |
| Molecular Formula: | C25 H20 F3 N3 O2 S |
| Smiles: | COc1cccc(c1)C1CC(=Nc2ccccc2N=1)SCC(Nc1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.2266 |
| logD: | 5.2259 |
| logSw: | -5.021 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.185 |
| InChI Key: | STYPQCFLGFLBTF-UHFFFAOYSA-N |