3,4,5-trimethoxy-N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)benzamide
Chemical Structure Depiction of
3,4,5-trimethoxy-N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)benzamide
3,4,5-trimethoxy-N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)benzamide
Compound characteristics
| Compound ID: | 3330-2834 |
| Compound Name: | 3,4,5-trimethoxy-N-({5-sulfanylidene-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-3-yl}methyl)benzamide |
| Molecular Weight: | 468.45 |
| Molecular Formula: | C20 H19 F3 N4 O4 S |
| Smiles: | COc1cc(cc(c1OC)OC)C(NCC1=NNC(N1c1cccc(c1)C(F)(F)F)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2522 |
| logD: | 2.9175 |
| logSw: | -3.6022 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.492 |
| InChI Key: | ZTZXEAZZXFNKQZ-UHFFFAOYSA-N |