methyl 3-acetyl-4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 3-acetyl-4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 3-acetyl-4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 4476-0146 |
| Compound Name: | methyl 3-acetyl-4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 332.31 |
| Molecular Formula: | C16 H16 N2 O6 |
| Smiles: | [H]N1C(C)=C(C(c2ccc3c(c2)OCO3)N(C(C)=O)C1=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5335 |
| logD: | -1.4606 |
| logSw: | -2.0277 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.271 |
| InChI Key: | QNQNBSBTWIAYFI-AWEZNQCLSA-N |