methyl 4-[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 5756-0330 |
| Compound Name: | methyl 4-[3-(4-ethoxy-3-nitrophenyl)-1-phenyl-1H-pyrazol-4-yl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 477.48 |
| Molecular Formula: | C24 H23 N5 O6 |
| Smiles: | CCOc1ccc(cc1[N+]([O-])=O)c1c(cn(c2ccccc2)n1)C1C(=C(C)NC(N1)=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.791 |
| logD: | 2.6626 |
| logSw: | -3.4586 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.789 |
| InChI Key: | CXIGKBZHAOPYRS-QFIPXVFZSA-N |