ethyl 1-[6-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanoyl]piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[6-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanoyl]piperidine-3-carboxylate
ethyl 1-[6-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanoyl]piperidine-3-carboxylate
Compound characteristics
| Compound ID: | K284-1136 |
| Compound Name: | ethyl 1-[6-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanoyl]piperidine-3-carboxylate |
| Molecular Weight: | 431.55 |
| Molecular Formula: | C22 H29 N3 O4 S |
| Smiles: | CCOC(C1CCCN(C1)C(CCCCCN1C(c2ccccc2NC1=S)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.0442 |
| logD: | 3.0431 |
| logSw: | -3.5142 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.376 |
| InChI Key: | MTVSUVQDVZGQJL-INIZCTEOSA-N |