2-methylpropyl 6-methyl-4-{4-[3-(4-nitrophenyl)prop-2-enamido]phenyl}-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 6-methyl-4-{4-[3-(4-nitrophenyl)prop-2-enamido]phenyl}-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methylpropyl 6-methyl-4-{4-[3-(4-nitrophenyl)prop-2-enamido]phenyl}-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V017-1423 |
| Compound Name: | 2-methylpropyl 6-methyl-4-{4-[3-(4-nitrophenyl)prop-2-enamido]phenyl}-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 520.59 |
| Molecular Formula: | C28 H32 N4 O6 |
| Smiles: | CCCN1C(C)=C(C(c2ccc(cc2)NC(/C=C/c2ccc(cc2)[N+]([O-])=O)=O)NC1=O)C(=O)OCC(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2485 |
| logD: | 5.248 |
| logSw: | -5.0954 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.276 |
| InChI Key: | VGLVNHOISGBBHX-SANMLTNESA-N |