3-{3-[4-(benzyloxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
Chemical Structure Depiction of
3-{3-[4-(benzyloxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
3-{3-[4-(benzyloxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide
Compound characteristics
| Compound ID: | V008-5856 |
| Compound Name: | 3-{3-[4-(benzyloxy)-3-methoxyphenyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}-N-{[3-(trifluoromethyl)phenyl]methyl}propanamide |
| Molecular Weight: | 538.53 |
| Molecular Formula: | C28 H25 F3 N4 O4 |
| Salt: | not_available |
| Smiles: | COc1cc(ccc1OCc1ccccc1)C1NN=C(CCC(NCc2cccc(c2)C(F)(F)F)=O)C(N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8031 |
| logD: | 3.8031 |
| logSw: | -4.1951 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85.724 |
| InChI Key: | MBNJWYHDTGIRSQ-UHFFFAOYSA-N |