ethyl 4-[6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanoyl]piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-[6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanoyl]piperazine-1-carboxylate
ethyl 4-[6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanoyl]piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K284-4147 |
| Compound Name: | ethyl 4-[6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanoyl]piperazine-1-carboxylate |
| Molecular Weight: | 511.44 |
| Molecular Formula: | C21 H27 Br N4 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(CCCCCN1C(c2cc(ccc2NC1=S)[Br])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4417 |
| logD: | 3.3768 |
| logSw: | -3.6885 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.469 |
| InChI Key: | OBIAFGSRXGFBPN-UHFFFAOYSA-N |