N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide
N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | 3330-2730 |
| Compound Name: | N-{[4-(2-methoxyphenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide |
| Molecular Weight: | 408.4 |
| Molecular Formula: | C18 H15 F3 N4 O2 S |
| Smiles: | COc1ccccc1N1C(CNC(c2ccccc2C(F)(F)F)=O)=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.1448 |
| logD: | 2.9019 |
| logSw: | -3.7227 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.843 |
| InChI Key: | VCXGGTUZCJNLAX-UHFFFAOYSA-N |