ethyl 6-methyl-4-{4-[2-oxo-2-(piperidin-1-yl)ethoxy]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 6-methyl-4-{4-[2-oxo-2-(piperidin-1-yl)ethoxy]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
ethyl 6-methyl-4-{4-[2-oxo-2-(piperidin-1-yl)ethoxy]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8006-6849 |
| Compound Name: | ethyl 6-methyl-4-{4-[2-oxo-2-(piperidin-1-yl)ethoxy]phenyl}-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 417.53 |
| Molecular Formula: | C21 H27 N3 O4 S |
| Smiles: | CCOC(C1C(c2ccc(cc2)OCC(N2CCCCC2)=O)NC(NC=1C)=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.9994 |
| logD: | 1.9833 |
| logSw: | -2.5486 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.048 |
| InChI Key: | PVKDUZMZISXSJI-LJQANCHMSA-N |