ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[4-(4-nitrophenyl)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-(4-nitrophenyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8016-1411 |
| Compound Name: | ethyl 4-(2H-1,3-benzodioxol-5-yl)-6-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 509.52 |
| Molecular Formula: | C25 H27 N5 O7 |
| Smiles: | CCOC(C1C(c2ccc3c(c2)OCO3)NC(NC=1CN1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8699 |
| logD: | 2.8699 |
| logSw: | -3.3761 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 114.542 |
| InChI Key: | IQCVIMPQRFRPOL-HSZRJFAPSA-N |