4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V002-4234 |
| Compound Name: | 4-[(3-methoxyphenyl)methyl]-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2-[4-(trifluoromethyl)phenyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 504.46 |
| Molecular Formula: | C24 H23 F3 N4 O5 |
| Smiles: | COc1cccc(CN2C(C(C(NCC3CCCO3)=O)=NN(C2=O)c2ccc(cc2)C(F)(F)F)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.129 |
| logD: | 3.1281 |
| logSw: | -3.4761 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.856 |
| InChI Key: | PYRSJROYMPTCKI-LJQANCHMSA-N |