3,3-dimethylbutan-2-yl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
3,3-dimethylbutan-2-yl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
3,3-dimethylbutan-2-yl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8008-5297 |
| Compound Name: | 3,3-dimethylbutan-2-yl 6-methyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 361.4 |
| Molecular Formula: | C18 H23 N3 O5 |
| Smiles: | CC(C(C)(C)C)OC(C1C(c2cccc(c2)[N+]([O-])=O)NC(NC=1C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2532 |
| logD: | 3.103 |
| logSw: | -3.5393 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.492 |
| InChI Key: | FPQCXTYBJQBMCT-UHFFFAOYSA-N |