N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide
Chemical Structure Depiction of
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide
N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide
Compound characteristics
| Compound ID: | 3330-2731 |
| Compound Name: | N-{[4-(4-bromophenyl)-5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl]methyl}-2-(trifluoromethyl)benzamide |
| Molecular Weight: | 457.27 |
| Molecular Formula: | C17 H12 Br F3 N4 O S |
| Smiles: | C(C1=NNC(N1c1ccc(cc1)[Br])=S)NC(c1ccccc1C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1194 |
| logD: | 3.2687 |
| logSw: | -4.4385 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.514 |
| InChI Key: | BSMMPWITIPBAFH-UHFFFAOYSA-N |