ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
Compound ID: | 8015-7171 |
Compound Name: | ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
Molecular Weight: | 415.49 |
Molecular Formula: | C22 H29 N3 O5 |
Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)NC(NC=1CN1CC(C)CC(C)C1)=O)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 3.0718 |
logD: | 3.0718 |
logSw: | -3.3015 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 77.767 |
InChI Key: | JGJYVIGWLAJVFX-UHFFFAOYSA-N |