N-(2-methoxyethyl)-4-[({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide
Chemical Structure Depiction of
N-(2-methoxyethyl)-4-[({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide
N-(2-methoxyethyl)-4-[({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide
Compound characteristics
| Compound ID: | V027-2604 |
| Compound Name: | N-(2-methoxyethyl)-4-[({5-(pyridin-4-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide |
| Molecular Weight: | 513.54 |
| Molecular Formula: | C25 H22 F3 N5 O2 S |
| Salt: | not_available |
| Smiles: | COCCNC(c1ccc(CSc2nnc(c3ccncc3)n2c2cccc(c2)C(F)(F)F)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6787 |
| logD: | 3.6787 |
| logSw: | -3.9745 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.01 |
| InChI Key: | TVCQMDNUWWNFDM-UHFFFAOYSA-N |