methyl 1-butyl-6-methyl-4-[3-(4-methyl-3-nitrobenzamido)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 1-butyl-6-methyl-4-[3-(4-methyl-3-nitrobenzamido)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 1-butyl-6-methyl-4-[3-(4-methyl-3-nitrobenzamido)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V012-4886 |
| Compound Name: | methyl 1-butyl-6-methyl-4-[3-(4-methyl-3-nitrobenzamido)phenyl]-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 480.52 |
| Molecular Formula: | C25 H28 N4 O6 |
| Smiles: | CCCCN1C(C)=C(C(c2cccc(c2)NC(c2ccc(C)c(c2)[N+]([O-])=O)=O)NC1=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4945 |
| logD: | 4.4919 |
| logSw: | -4.2403 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.233 |
| InChI Key: | YBYOMJADNSYZAA-QFIPXVFZSA-N |