ethyl 6-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2-oxo-4-{4-[(propan-2-yl)oxy]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2-oxo-4-{4-[(propan-2-yl)oxy]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2-oxo-4-{4-[(propan-2-yl)oxy]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | C430-5410 |
| Compound Name: | ethyl 6-{[4-(4-nitrophenyl)piperazin-1-yl]methyl}-2-oxo-4-{4-[(propan-2-yl)oxy]phenyl}-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 523.59 |
| Molecular Formula: | C27 H33 N5 O6 |
| Smiles: | CCOC(C1C(c2ccc(cc2)OC(C)C)NC(NC=1CN1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.477 |
| logD: | 3.477 |
| logSw: | -3.5298 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.229 |
| InChI Key: | PIJJRUQHQXJYFF-RUZDIDTESA-N |