N-[(3-methylphenyl)methyl]-3-{5-oxo-3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-triazin-6-yl}propanamide
Chemical Structure Depiction of
N-[(3-methylphenyl)methyl]-3-{5-oxo-3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-triazin-6-yl}propanamide
N-[(3-methylphenyl)methyl]-3-{5-oxo-3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-triazin-6-yl}propanamide
Compound characteristics
| Compound ID: | V022-0553 |
| Compound Name: | N-[(3-methylphenyl)methyl]-3-{5-oxo-3-[4-(trifluoromethyl)phenyl]-2,5-dihydro-1,2,4-triazin-6-yl}propanamide |
| Molecular Weight: | 416.4 |
| Molecular Formula: | C21 H19 F3 N4 O2 |
| Salt: | not_available |
| Smiles: | Cc1cccc(CNC(CCC2C(N=C(c3ccc(cc3)C(F)(F)F)NN=2)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.478 |
| logD: | 3.478 |
| logSw: | -3.736 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.78 |
| InChI Key: | QZSOXUNTKSKKDA-UHFFFAOYSA-N |