3-methylcyclohexyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
3-methylcyclohexyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
3-methylcyclohexyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 1630-0408 |
| Compound Name: | 3-methylcyclohexyl 4-(6-bromo-2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 451.32 |
| Molecular Formula: | C20 H23 Br N2 O5 |
| Smiles: | CC1CCCC(C1)OC(C1C(c2cc3c(cc2[Br])OCO3)NC(NC=1C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4278 |
| logD: | 3.3193 |
| logSw: | -3.5617 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.891 |
| InChI Key: | UXTDAXHFIINMMW-UHFFFAOYSA-N |