2-methylpentyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methylpentyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methylpentyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 1630-0591 |
| Compound Name: | 2-methylpentyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 377.4 |
| Molecular Formula: | C18 H23 N3 O6 |
| Smiles: | CCCC(C)COC(C1C(c2ccc(c(c2)[N+]([O-])=O)O)NC(NC=1C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.0928 |
| logD: | 2.5315 |
| logSw: | -3.3173 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 106.449 |
| InChI Key: | RKFOOAFLMNNZEV-UHFFFAOYSA-N |