ethyl 4-[3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzoyl]piperazine-1-carboxylate
ethyl 4-[3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K288-0775 |
| Compound Name: | ethyl 4-[3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzoyl]piperazine-1-carboxylate |
| Molecular Weight: | 472.95 |
| Molecular Formula: | C22 H21 Cl N4 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1cccc(c1)N1C(c2ccc(cc2NC1=S)[Cl])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8427 |
| logD: | 2.4654 |
| logSw: | -3.7137 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.135 |
| InChI Key: | YNIVSYMOZQBKKH-UHFFFAOYSA-N |