ethyl 1-[3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzoyl]piperidine-3-carboxylate
Chemical Structure Depiction of
ethyl 1-[3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzoyl]piperidine-3-carboxylate
ethyl 1-[3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzoyl]piperidine-3-carboxylate
Compound characteristics
| Compound ID: | K288-0772 |
| Compound Name: | ethyl 1-[3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzoyl]piperidine-3-carboxylate |
| Molecular Weight: | 471.96 |
| Molecular Formula: | C23 H22 Cl N3 O4 S |
| Smiles: | CCOC(C1CCCN(C1)C(c1cccc(c1)N1C(c2ccc(cc2NC1=S)[Cl])=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2536 |
| logD: | 2.8763 |
| logSw: | -3.8328 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.042 |
| InChI Key: | KSTRQZDZCBCEPK-HNNXBMFYSA-N |