3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)-N-(2-phenoxyethyl)propanamide
Chemical Structure Depiction of
3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)-N-(2-phenoxyethyl)propanamide
3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)-N-(2-phenoxyethyl)propanamide
Compound characteristics
| Compound ID: | V028-5741 |
| Compound Name: | 3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)-N-(2-phenoxyethyl)propanamide |
| Molecular Weight: | 446.43 |
| Molecular Formula: | C22 H21 F3 N4 O3 |
| Salt: | not_available |
| Smiles: | C(CC(NCCOc1ccccc1)=O)C1C(N=C(Cc2cccc(c2)C(F)(F)F)NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0734 |
| logD: | 2.8921 |
| logSw: | -3.43 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.048 |
| InChI Key: | SQPKITHHWHQHTR-UHFFFAOYSA-N |