5-({[1-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}methyl)-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-({[1-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}methyl)-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
5-({[1-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}methyl)-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-6020 |
| Compound Name: | 5-({[1-(4-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-yl]oxy}methyl)-4-[3-(morpholin-4-yl)propyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 482.53 |
| Molecular Formula: | C21 H25 F3 N6 O2 S |
| Smiles: | Cc1ccc(cc1)n1c(cc(C(F)(F)F)n1)OCc1nnc(n1CCCN1CCOCC1)S |
| Stereo: | ACHIRAL |
| logP: | 2.829 |
| logD: | 2.426 |
| logSw: | -2.9146 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.554 |
| InChI Key: | ZKVKYEDHADDUSL-UHFFFAOYSA-N |