6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanoic acid
Chemical Structure Depiction of
6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanoic acid
6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanoic acid
Compound characteristics
| Compound ID: | K284-4111 |
| Compound Name: | 6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanoic acid |
| Molecular Weight: | 371.25 |
| Molecular Formula: | C14 H15 Br N2 O3 S |
| Smiles: | C(CCC(O)=O)CCN1C(c2cc(ccc2NC1=S)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9126 |
| logD: | 0.0845 |
| logSw: | -3.4857 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.952 |
| InChI Key: | VNLRPLZXIKSFLT-UHFFFAOYSA-N |