2-(4-chlorophenoxy)-N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)acetamide
Chemical Structure Depiction of
2-(4-chlorophenoxy)-N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)acetamide
2-(4-chlorophenoxy)-N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)acetamide
Compound characteristics
| Compound ID: | 3330-2934 |
| Compound Name: | 2-(4-chlorophenoxy)-N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)acetamide |
| Molecular Weight: | 442.85 |
| Molecular Formula: | C18 H14 Cl F3 N4 O2 S |
| Smiles: | C(C1=NNC(N1c1cccc(c1)C(F)(F)F)=S)NC(COc1ccc(cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.9579 |
| logD: | 3.6233 |
| logSw: | -4.5436 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.8 |
| InChI Key: | KWNACAPXLCMYEM-UHFFFAOYSA-N |