cyclooctyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
cyclooctyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
cyclooctyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 5991-0014 |
| Compound Name: | cyclooctyl 4-(4-hydroxy-3-nitrophenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 403.43 |
| Molecular Formula: | C20 H25 N3 O6 |
| Smiles: | CC1=C(C(c2ccc(c(c2)[N+]([O-])=O)O)NC(N1)=O)C(=O)OC1CCCCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0587 |
| logD: | 3.4974 |
| logSw: | -3.8366 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.735 |
| InChI Key: | PVZJCGCSLJJQKT-SFHVURJKSA-N |