N-(2-methylpropyl)-3-[({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide
Chemical Structure Depiction of
N-(2-methylpropyl)-3-[({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide
N-(2-methylpropyl)-3-[({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide
Compound characteristics
| Compound ID: | V029-8026 |
| Compound Name: | N-(2-methylpropyl)-3-[({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide |
| Molecular Weight: | 511.57 |
| Molecular Formula: | C26 H24 F3 N5 O S |
| Salt: | not_available |
| Smiles: | CC(C)CNC(c1cccc(CSc2nnc(c3cccnc3)n2c2cccc(c2)C(F)(F)F)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8315 |
| logD: | 4.8273 |
| logSw: | -4.3076 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.915 |
| InChI Key: | KXNXDJPQJBBGGI-UHFFFAOYSA-N |