ethyl 6-(4-nitrophenyl)-4-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]-1,4,5,6-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-(4-nitrophenyl)-4-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]-1,4,5,6-tetrahydropyrimidine-5-carboxylate
ethyl 6-(4-nitrophenyl)-4-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]-1,4,5,6-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | Y020-6439 |
| Compound Name: | ethyl 6-(4-nitrophenyl)-4-oxo-2-[4-(pyrimidin-2-yl)piperazin-1-yl]-1,4,5,6-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 453.46 |
| Molecular Formula: | C21 H23 N7 O5 |
| Smiles: | CCOC(C1C(c2ccc(cc2)[N+]([O-])=O)NC(=NC1=O)N1CCN(CC1)c1ncccn1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.0761 |
| logD: | -3.0532 |
| logSw: | -2.5564 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.427 |
| InChI Key: | DNEOXRZKFAPMPA-UHFFFAOYSA-N |