methyl 3-[({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
Chemical Structure Depiction of
methyl 3-[({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
methyl 3-[({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate
Compound characteristics
| Compound ID: | V005-6148 |
| Compound Name: | methyl 3-[({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzoate |
| Molecular Weight: | 470.47 |
| Molecular Formula: | C23 H17 F3 N4 O2 S |
| Salt: | not_available |
| Smiles: | COC(c1cccc(CSc2nnc(c3ccncc3)n2c2cccc(c2)C(F)(F)F)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9513 |
| logD: | 4.9513 |
| logSw: | -4.7142 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.315 |
| InChI Key: | QDFVRQJFJJLCKK-UHFFFAOYSA-N |