methyl 1-butyl-6-methyl-4-{3-[(4-nitrophenyl)carbamamido]phenyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 1-butyl-6-methyl-4-{3-[(4-nitrophenyl)carbamamido]phenyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 1-butyl-6-methyl-4-{3-[(4-nitrophenyl)carbamamido]phenyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V014-3494 |
| Compound Name: | methyl 1-butyl-6-methyl-4-{3-[(4-nitrophenyl)carbamamido]phenyl}-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 481.51 |
| Molecular Formula: | C24 H27 N5 O6 |
| Smiles: | CCCCN1C(C)=C(C(c2cccc(c2)NC(Nc2ccc(cc2)[N+]([O-])=O)=O)NC1=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7226 |
| logD: | 4.721 |
| logSw: | -4.4823 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 114.746 |
| InChI Key: | UCFNLLWIYDTAIJ-NRFANRHFSA-N |