propan-2-yl 1,6-dimethyl-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
propan-2-yl 1,6-dimethyl-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
propan-2-yl 1,6-dimethyl-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | Y501-6571 |
| Compound Name: | propan-2-yl 1,6-dimethyl-4-(2-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 333.34 |
| Molecular Formula: | C16 H19 N3 O5 |
| Smiles: | CC(C)OC(C1C(c2ccccc2[N+]([O-])=O)NC(N(C)C=1C)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3578 |
| logD: | 2.3513 |
| logSw: | -2.7965 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.188 |
| InChI Key: | IOIASGLGMRVEAW-AWEZNQCLSA-N |