N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide
N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | 3330-2727 |
| Compound Name: | N-{[4-(3-chlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide |
| Molecular Weight: | 412.82 |
| Molecular Formula: | C17 H12 Cl F3 N4 O S |
| Smiles: | C(C1=NNC(N1c1cccc(c1)[Cl])=S)NC(c1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9249 |
| logD: | 2.1928 |
| logSw: | -4.4239 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.514 |
| InChI Key: | YJZZULPXPDTDGH-UHFFFAOYSA-N |