2-(4-methoxyphenyl)-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-methoxyphenyl)-N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)acetamide
2-(4-methoxyphenyl)-N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)acetamide
Compound characteristics
| Compound ID: | 3330-2954 |
| Compound Name: | 2-(4-methoxyphenyl)-N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)acetamide |
| Molecular Weight: | 422.43 |
| Molecular Formula: | C19 H17 F3 N4 O2 S |
| Smiles: | COc1ccc(CC(NCC2=NNC(N2c2cccc(c2)C(F)(F)F)=S)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 3.3391 |
| logD: | 3.0045 |
| logSw: | -3.7616 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 58.844 |
| InChI Key: | WXWFGBMKYZKRDU-UHFFFAOYSA-N |