ethyl 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate
ethyl 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | Y020-6460 |
| Compound Name: | ethyl 2-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl}-4-oxo-6-phenyl-1,4,5,6-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 464.52 |
| Molecular Formula: | C25 H28 N4 O5 |
| Smiles: | CCOC(C1C(c2ccccc2)NC(=NC1=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.5424 |
| logD: | 2.5424 |
| logSw: | -2.9823 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.079 |
| InChI Key: | ZITHJOUPPHLFMP-UHFFFAOYSA-N |