4-[(3-methylphenyl)methyl]-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
4-[(3-methylphenyl)methyl]-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
4-[(3-methylphenyl)methyl]-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V019-5393 |
| Compound Name: | 4-[(3-methylphenyl)methyl]-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2-phenyl-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 420.47 |
| Molecular Formula: | C23 H24 N4 O4 |
| Smiles: | Cc1cccc(CN2C(C(C(NCC3CCCO3)=O)=NN(C2=O)c2ccccc2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.7259 |
| logD: | 2.725 |
| logSw: | -3.1624 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.313 |
| InChI Key: | WAZCBCURERBKNJ-LJQANCHMSA-N |