3-[4-ethyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-1H-indole
Chemical Structure Depiction of
3-[4-ethyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-1H-indole
3-[4-ethyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-1H-indole
Compound characteristics
| Compound ID: | G878-0019 |
| Compound Name: | 3-[4-ethyl-5-({[3-(trifluoromethyl)phenyl]methyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-1H-indole |
| Molecular Weight: | 402.44 |
| Molecular Formula: | C20 H17 F3 N4 S |
| Smiles: | CCn1c(c2c[nH]c3ccccc23)nnc1SCc1cccc(c1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.3187 |
| logD: | 5.3187 |
| logSw: | -5.9069 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.836 |
| InChI Key: | COPOXVUYUYUCOB-UHFFFAOYSA-N |