ethyl 4-[3-(benzylcarbamamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(benzylcarbamamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 4-[3-(benzylcarbamamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | V003-6158 |
| Compound Name: | ethyl 4-[3-(benzylcarbamamido)phenyl]-1-ethyl-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 452.57 |
| Molecular Formula: | C24 H28 N4 O3 S |
| Smiles: | CCN1C(C)=C(C(c2cccc(c2)NC(NCc2ccccc2)=O)NC1=S)C(=O)OCC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9049 |
| logD: | 3.9048 |
| logSw: | -3.933 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 68.851 |
| InChI Key: | JQRPGQACHKGAOU-OAQYLSRUSA-N |