ethyl 2-[({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1,3-thiazole-4-carboxylate
Chemical Structure Depiction of
ethyl 2-[({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1,3-thiazole-4-carboxylate
ethyl 2-[({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1,3-thiazole-4-carboxylate
Compound characteristics
| Compound ID: | V010-4482 |
| Compound Name: | ethyl 2-[({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]-1,3-thiazole-4-carboxylate |
| Molecular Weight: | 491.51 |
| Molecular Formula: | C21 H16 F3 N5 O2 S2 |
| Salt: | not_available |
| Smiles: | CCOC(c1csc(CSc2nnc(c3ccncc3)n2c2cccc(c2)C(F)(F)F)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.597 |
| logD: | 4.5969 |
| logSw: | -4.3599 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.395 |
| InChI Key: | PIGZEDFHACDJQQ-UHFFFAOYSA-N |