ethyl 2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate
Chemical Structure Depiction of
ethyl 2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate
ethyl 2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate
Compound characteristics
| Compound ID: | V009-4518 |
| Compound Name: | ethyl 2-({5-benzyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)propanoate |
| Molecular Weight: | 435.47 |
| Molecular Formula: | C21 H20 F3 N3 O2 S |
| Salt: | not_available |
| Smiles: | CCOC(C(C)Sc1nnc(Cc2ccccc2)n1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0224 |
| logD: | 5.0223 |
| logSw: | -4.7034 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.714 |
| InChI Key: | WHZOYQQQQGBCNA-AWEZNQCLSA-N |