cyclooctyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
cyclooctyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
cyclooctyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 1630-1120 |
| Compound Name: | cyclooctyl 6-methyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 387.43 |
| Molecular Formula: | C20 H25 N3 O5 |
| Smiles: | CC1=C(C(c2ccc(cc2)[N+]([O-])=O)NC(N1)=O)C(=O)OC1CCCCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0202 |
| logD: | 3.8699 |
| logSw: | -4.0305 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.488 |
| InChI Key: | KUFOQEZFUKSOJF-SFHVURJKSA-N |