2-(3,4-dimethylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Chemical Structure Depiction of
2-(3,4-dimethylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
2-(3,4-dimethylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
Compound characteristics
| Compound ID: | V026-0159 |
| Compound Name: | 2-(3,4-dimethylphenyl)-4-[(4-methylphenyl)methyl]-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 448.52 |
| Molecular Formula: | C25 H28 N4 O4 |
| Salt: | not_available |
| Smiles: | Cc1ccc(CN2C(C(C(NCC3CCCO3)=O)=NN(C2=O)c2ccc(C)c(C)c2)=O)cc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7616 |
| logD: | 3.7606 |
| logSw: | -3.6742 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.313 |
| InChI Key: | UQVRWLYYSCBSKA-OAQYLSRUSA-N |