3-methylbutyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
3-methylbutyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
3-methylbutyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 1128-0005 |
| Compound Name: | 3-methylbutyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 346.38 |
| Molecular Formula: | C18 H22 N2 O5 |
| Smiles: | CC(C)CCOC(C1C(c2ccc3c(c2)OCO3)NC(NC=1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8594 |
| logD: | 2.7092 |
| logSw: | -3.2401 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.855 |
| InChI Key: | CKIITAMTFZJNHS-MRXNPFEDSA-N |