N-[(4-fluorophenyl)methyl]-3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)propanamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)propanamide
N-[(4-fluorophenyl)methyl]-3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)propanamide
Compound characteristics
| Compound ID: | V004-0039 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)propanamide |
| Molecular Weight: | 434.39 |
| Molecular Formula: | C21 H18 F4 N4 O2 |
| Salt: | not_available |
| Smiles: | C(CC(NCc1ccc(cc1)F)=O)C1C(N=C(Cc2cccc(c2)C(F)(F)F)NN=1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8975 |
| logD: | 2.7162 |
| logSw: | -3.3575 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.789 |
| InChI Key: | LGVXRVPJWHPGMK-UHFFFAOYSA-N |