2-phenoxy-N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)acetamide
Chemical Structure Depiction of
2-phenoxy-N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)acetamide
2-phenoxy-N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)acetamide
Compound characteristics
| Compound ID: | 2515-5739 |
| Compound Name: | 2-phenoxy-N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)acetamide |
| Molecular Weight: | 408.4 |
| Molecular Formula: | C18 H15 F3 N4 O2 S |
| Smiles: | C(C1=NNC(N1c1cccc(c1)C(F)(F)F)=S)NC(COc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3347 |
| logD: | 3 |
| logSw: | -3.7007 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.8 |
| InChI Key: | QBQTXVKUBYJREA-UHFFFAOYSA-N |