N-[(pyridin-4-yl)methyl]-2-[({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide
Chemical Structure Depiction of
N-[(pyridin-4-yl)methyl]-2-[({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide
N-[(pyridin-4-yl)methyl]-2-[({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide
Compound characteristics
| Compound ID: | V029-3835 |
| Compound Name: | N-[(pyridin-4-yl)methyl]-2-[({5-(pyridin-3-yl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}sulfanyl)methyl]benzamide |
| Molecular Weight: | 546.57 |
| Molecular Formula: | C28 H21 F3 N6 O S |
| Salt: | not_available |
| Smiles: | C(c1ccncc1)NC(c1ccccc1CSc1nnc(c2cccnc2)n1c1cccc(c1)C(F)(F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4043 |
| logD: | 4.4001 |
| logSw: | -4.2514 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.072 |
| InChI Key: | BSUZXTOSAUUIKE-UHFFFAOYSA-N |