3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)-N-[2-(pyridin-2-yl)ethyl]propanamide
Chemical Structure Depiction of
3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)-N-[2-(pyridin-2-yl)ethyl]propanamide
3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)-N-[2-(pyridin-2-yl)ethyl]propanamide
Compound characteristics
| Compound ID: | V031-1349 |
| Compound Name: | 3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)-N-[2-(pyridin-2-yl)ethyl]propanamide |
| Molecular Weight: | 431.42 |
| Molecular Formula: | C21 H20 F3 N5 O2 |
| Salt: | not_available |
| Smiles: | C(CC(NCCc1ccccn1)=O)C1C(N=C(Cc2cccc(c2)C(F)(F)F)NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7352 |
| logD: | 1.5539 |
| logSw: | -1.9639 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.174 |
| InChI Key: | DMWCNILIGLFMOR-UHFFFAOYSA-N |