benzyl 1,6-dimethyl-4-(4-methyl-3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
benzyl 1,6-dimethyl-4-(4-methyl-3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
benzyl 1,6-dimethyl-4-(4-methyl-3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 2786-4481 |
| Compound Name: | benzyl 1,6-dimethyl-4-(4-methyl-3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 395.41 |
| Molecular Formula: | C21 H21 N3 O5 |
| Smiles: | CC1=C(C(c2ccc(C)c(c2)[N+]([O-])=O)NC(N1C)=O)C(=O)OCc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5688 |
| logD: | 3.5193 |
| logSw: | -3.9082 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.613 |
| InChI Key: | PPRJVZXWFZCHBN-IBGZPJMESA-N |