ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[4-(2-cyanoethyl)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-(2-cyanoethyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[4-(2-cyanoethyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8015-7954 |
| Compound Name: | ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[4-(2-cyanoethyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 441.49 |
| Molecular Formula: | C22 H27 N5 O5 |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)NC(NC=1CN1CCN(CCC#N)CC1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6625 |
| logD: | 0.6625 |
| logSw: | -2.1132 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.182 |
| InChI Key: | UTGCFMMWJDHIBD-HXUWFJFHSA-N |