ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[4-(ethoxycarbonyl)piperazin-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-{[4-(ethoxycarbonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[4-(ethoxycarbonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
Compound ID: | 8015-7957 |
Compound Name: | ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[4-(ethoxycarbonyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
Molecular Weight: | 460.49 |
Molecular Formula: | C22 H28 N4 O7 |
Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)NC(NC=1CN1CCN(CC1)C(=O)OCC)=O)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 1.7252 |
logD: | 1.7252 |
logSw: | -2.4482 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 100.68 |
InChI Key: | HRIGAZQLFOAKGZ-LJQANCHMSA-N |