3-methylcyclohexyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
3-methylcyclohexyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
3-methylcyclohexyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 1630-0412 |
| Compound Name: | 3-methylcyclohexyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 389.41 |
| Molecular Formula: | C19 H23 N3 O6 |
| Smiles: | CC1CCCC(C1)OC(C1C(c2ccc(c(c2)[N+]([O-])=O)O)NC(NC=1C)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9115 |
| logD: | 2.3502 |
| logSw: | -3.331 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.404 |
| InChI Key: | SCWWAYWLUYOKRM-UHFFFAOYSA-N |