cycloheptyl 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
cycloheptyl 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
cycloheptyl 1,6-dimethyl-4-(4-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 1716-1938 |
| Compound Name: | cycloheptyl 1,6-dimethyl-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(N1C)=O)C(=O)OC1CCCCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9743 |
| logD: | 3.9375 |
| logSw: | -3.9939 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.471 |
| InChI Key: | HFYSXIRAXRPCSL-SFHVURJKSA-N |