N-(2-methylpropyl)-2-[({5-methyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide
Chemical Structure Depiction of
N-(2-methylpropyl)-2-[({5-methyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide
N-(2-methylpropyl)-2-[({5-methyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide
Compound characteristics
| Compound ID: | V005-0698 |
| Compound Name: | N-(2-methylpropyl)-2-[({5-methyl-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide |
| Molecular Weight: | 448.51 |
| Molecular Formula: | C22 H23 F3 N4 O S |
| Smiles: | CC(C)CNC(c1ccccc1CSc1nnc(C)n1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6778 |
| logD: | 4.6778 |
| logSw: | -4.4568 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.446 |
| InChI Key: | ZLADOUONMKTLIE-UHFFFAOYSA-N |