N-[(4-methoxyphenyl)methyl]-2-[(4-phenyl-5-{[3-(trifluoromethyl)phenyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-2-[(4-phenyl-5-{[3-(trifluoromethyl)phenyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
N-[(4-methoxyphenyl)methyl]-2-[(4-phenyl-5-{[3-(trifluoromethyl)phenyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8016-3156 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-2-[(4-phenyl-5-{[3-(trifluoromethyl)phenyl]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 512.55 |
| Molecular Formula: | C26 H23 F3 N4 O2 S |
| Smiles: | COc1ccc(CNC(CSc2nnc(Cc3cccc(c3)C(F)(F)F)n2c2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.7649 |
| logD: | 4.7649 |
| logSw: | -4.6766 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.704 |
| InChI Key: | OLWLVNXIWZNYEP-UHFFFAOYSA-N |