2-methylpropyl 1-ethyl-6-methyl-4-[3-(4-nitrobenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
2-methylpropyl 1-ethyl-6-methyl-4-[3-(4-nitrobenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
2-methylpropyl 1-ethyl-6-methyl-4-[3-(4-nitrobenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V027-1793 |
| Compound Name: | 2-methylpropyl 1-ethyl-6-methyl-4-[3-(4-nitrobenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 496.58 |
| Molecular Formula: | C25 H28 N4 O5 S |
| Salt: | not_available |
| Smiles: | CCN1C(C)=C(C(c2cccc(c2)NC(c2ccc(cc2)[N+]([O-])=O)=O)NC1=S)C(=O)OCC(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.717 |
| logD: | 4.7168 |
| logSw: | -4.4959 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.074 |
| InChI Key: | NDROGHXBORQDDO-JOCHJYFZSA-N |