2-{[5-{[(4-methylphenyl)sulfanyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Chemical Structure Depiction of
2-{[5-{[(4-methylphenyl)sulfanyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
2-{[5-{[(4-methylphenyl)sulfanyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide
Compound characteristics
| Compound ID: | C592-3819 |
| Compound Name: | 2-{[5-{[(4-methylphenyl)sulfanyl]methyl}-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide |
| Molecular Weight: | 478.56 |
| Molecular Formula: | C22 H21 F3 N4 O S2 |
| Smiles: | Cc1ccc(cc1)SCc1nnc(n1CC=C)SCC(Nc1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 5.587 |
| logD: | 5.5865 |
| logSw: | -5.4955 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 48.345 |
| InChI Key: | AHAMNRVGRRKZQN-UHFFFAOYSA-N |