3-bromopropyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
3-bromopropyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
3-bromopropyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 1630-0922 |
| Compound Name: | 3-bromopropyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 397.22 |
| Molecular Formula: | C16 H17 Br N2 O5 |
| Smiles: | CC1=C(C(c2ccc3c(c2)OCO3)NC(N1)=O)C(=O)OCCC[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3186 |
| logD: | 2.1683 |
| logSw: | -2.9492 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.855 |
| InChI Key: | JOBIZEPBSRBTAF-AWEZNQCLSA-N |