propan-2-yl 1-butyl-4-[3-(2-chloro-4-nitrobenzamido)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
propan-2-yl 1-butyl-4-[3-(2-chloro-4-nitrobenzamido)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
propan-2-yl 1-butyl-4-[3-(2-chloro-4-nitrobenzamido)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V012-3445 |
| Compound Name: | propan-2-yl 1-butyl-4-[3-(2-chloro-4-nitrobenzamido)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 528.99 |
| Molecular Formula: | C26 H29 Cl N4 O6 |
| Smiles: | CCCCN1C(C)=C(C(c2cccc(c2)NC(c2ccc(cc2[Cl])[N+]([O-])=O)=O)NC1=O)C(=O)OC(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.5083 |
| logD: | 5.5063 |
| logSw: | -5.9821 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.793 |
| InChI Key: | LARGJAIAQLFBEH-QHCPKHFHSA-N |