N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide
N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | 3330-2728 |
| Compound Name: | N-{[4-(3,4-dichlorophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide |
| Molecular Weight: | 447.26 |
| Molecular Formula: | C17 H11 Cl2 F3 N4 O S |
| Smiles: | C(C1=NNC(N1c1ccc(c(c1)[Cl])[Cl])=S)NC(c1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6244 |
| logD: | 2.8922 |
| logSw: | -4.7696 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.514 |
| InChI Key: | AHEPTTJBDGZIBE-UHFFFAOYSA-N |