propan-2-yl 1-ethyl-6-methyl-4-[4-(4-nitrobenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
propan-2-yl 1-ethyl-6-methyl-4-[4-(4-nitrobenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
propan-2-yl 1-ethyl-6-methyl-4-[4-(4-nitrobenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V009-8214 |
| Compound Name: | propan-2-yl 1-ethyl-6-methyl-4-[4-(4-nitrobenzamido)phenyl]-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 482.56 |
| Molecular Formula: | C24 H26 N4 O5 S |
| Smiles: | CCN1C(C)=C(C(c2ccc(cc2)NC(c2ccc(cc2)[N+]([O-])=O)=O)NC1=S)C(=O)OC(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1884 |
| logD: | 4.1883 |
| logSw: | -4.1343 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.377 |
| InChI Key: | GGMHOFRIMMEIAP-OAQYLSRUSA-N |