methyl 1-butyl-4-[3-(2-chloro-4-nitrobenzamido)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 1-butyl-4-[3-(2-chloro-4-nitrobenzamido)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 1-butyl-4-[3-(2-chloro-4-nitrobenzamido)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V013-7207 |
| Compound Name: | methyl 1-butyl-4-[3-(2-chloro-4-nitrobenzamido)phenyl]-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 500.94 |
| Molecular Formula: | C24 H25 Cl N4 O6 |
| Smiles: | CCCCN1C(C)=C(C(c2cccc(c2)NC(c2ccc(cc2[Cl])[N+]([O-])=O)=O)NC1=O)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6223 |
| logD: | 4.6203 |
| logSw: | -4.9201 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 105.534 |
| InChI Key: | LMYBNOWWTHMNCL-NRFANRHFSA-N |