prop-2-en-1-yl 1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
prop-2-en-1-yl 1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
prop-2-en-1-yl 1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 2017-2387 |
| Compound Name: | prop-2-en-1-yl 1,6-dimethyl-4-(3-nitrophenyl)-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 331.33 |
| Molecular Formula: | C16 H17 N3 O5 |
| Smiles: | CC1=C(C(c2cccc(c2)[N+]([O-])=O)NC(N1C)=O)C(=O)OCC=C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9706 |
| logD: | 1.921 |
| logSw: | -2.539 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.104 |
| InChI Key: | AIYOVQQKAJQHLP-AWEZNQCLSA-N |