2-(3-methylphenyl)-4-[(3-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-methylphenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide
2-(3-methylphenyl)-4-[(3-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: | V020-0885 |
| Compound Name: | 2-(3-methylphenyl)-4-[(3-methylphenyl)methyl]-3,5-dioxo-N-[(oxolan-2-yl)methyl]-2,3,4,5-tetrahydro-1,2,4-triazine-6-carboxamide |
| Molecular Weight: | 434.49 |
| Molecular Formula: | C24 H26 N4 O4 |
| Smiles: | Cc1cccc(CN2C(C(C(NCC3CCCO3)=O)=NN(C2=O)c2cccc(C)c2)=O)c1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3507 |
| logD: | 3.3497 |
| logSw: | -3.4654 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.313 |
| InChI Key: | KDAVYEQHZPUTOX-HXUWFJFHSA-N |