({5-(3,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Chemical Structure Depiction of
({5-(3,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
({5-(3,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Compound characteristics
| Compound ID: | C663-0687 |
| Compound Name: | ({5-(3,4-dimethoxyphenyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid |
| Molecular Weight: | 439.41 |
| Molecular Formula: | C19 H16 F3 N3 O4 S |
| Smiles: | COc1ccc(cc1OC)c1nnc(n1c1cccc(c1)C(F)(F)F)SCC(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3253 |
| logD: | 0.0328 |
| logSw: | -3.6283 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.629 |
| InChI Key: | LOMKQJHGFDZSCK-UHFFFAOYSA-N |