ethyl 4-[3-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]piperazine-1-carboxylate
ethyl 4-[3-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K288-0276 |
| Compound Name: | ethyl 4-[3-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)propanoyl]piperazine-1-carboxylate |
| Molecular Weight: | 390.46 |
| Molecular Formula: | C18 H22 N4 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(CCN1C(c2ccccc2NC1=S)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5857 |
| logD: | 1.5843 |
| logSw: | -2.5931 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.469 |
| InChI Key: | JBAYBVWKWBBRLA-UHFFFAOYSA-N |