N-(2-methoxyethyl)-3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)propanamide
Chemical Structure Depiction of
N-(2-methoxyethyl)-3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)propanamide
N-(2-methoxyethyl)-3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)propanamide
Compound characteristics
| Compound ID: | V004-0109 |
| Compound Name: | N-(2-methoxyethyl)-3-(5-oxo-3-{[3-(trifluoromethyl)phenyl]methyl}-2,5-dihydro-1,2,4-triazin-6-yl)propanamide |
| Molecular Weight: | 384.36 |
| Molecular Formula: | C17 H19 F3 N4 O3 |
| Smiles: | COCCNC(CCC1C(N=C(Cc2cccc(c2)C(F)(F)F)NN=1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.2025 |
| logD: | 1.0212 |
| logSw: | -1.9012 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.244 |
| InChI Key: | HGYQULKBDWTXDA-UHFFFAOYSA-N |