methyl 4-{3-methoxy-4-[2-oxo-2-(piperidin-1-yl)ethoxy]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Chemical Structure Depiction of
methyl 4-{3-methoxy-4-[2-oxo-2-(piperidin-1-yl)ethoxy]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
methyl 4-{3-methoxy-4-[2-oxo-2-(piperidin-1-yl)ethoxy]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8006-5610 |
| Compound Name: | methyl 4-{3-methoxy-4-[2-oxo-2-(piperidin-1-yl)ethoxy]phenyl}-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate |
| Molecular Weight: | 433.53 |
| Molecular Formula: | C21 H27 N3 O5 S |
| Smiles: | CC1=C(C(c2ccc(c(c2)OC)OCC(N2CCCCC2)=O)NC(N1)=S)C(=O)OC |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.4467 |
| logD: | 1.4307 |
| logSw: | -2.414 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.185 |
| InChI Key: | VLZUIMSIAHRGHQ-LJQANCHMSA-N |