cyclooctyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
cyclooctyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
cyclooctyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 0982-0078 |
| Compound Name: | cyclooctyl 4-(2H-1,3-benzodioxol-5-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 386.45 |
| Molecular Formula: | C21 H26 N2 O5 |
| Smiles: | CC1=C(C(c2ccc3c(c2)OCO3)NC(N1)=O)C(=O)OC1CCCCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.154 |
| logD: | 4.0037 |
| logSw: | -4.1808 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.222 |
| InChI Key: | XVUAKYNXGLGXST-LJQANCHMSA-N |