2-methylpropyl 6-methyl-4-{3-[(4-nitrophenyl)carbamamido]phenyl}-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 6-methyl-4-{3-[(4-nitrophenyl)carbamamido]phenyl}-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methylpropyl 6-methyl-4-{3-[(4-nitrophenyl)carbamamido]phenyl}-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V014-3518 |
| Compound Name: | 2-methylpropyl 6-methyl-4-{3-[(4-nitrophenyl)carbamamido]phenyl}-2-oxo-1-propyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 509.56 |
| Molecular Formula: | C26 H31 N5 O6 |
| Smiles: | CCCN1C(C)=C(C(c2cccc(c2)NC(Nc2ccc(cc2)[N+]([O-])=O)=O)NC1=O)C(=O)OCC(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4424 |
| logD: | 5.4408 |
| logSw: | -5.4211 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.701 |
| InChI Key: | HYHFKMFCPPQSKA-QHCPKHFHSA-N |