4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanoic acid
Chemical Structure Depiction of
4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanoic acid
4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanoic acid
Compound characteristics
| Compound ID: | K284-4062 |
| Compound Name: | 4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanoic acid |
| Molecular Weight: | 343.2 |
| Molecular Formula: | C12 H11 Br N2 O3 S |
| Smiles: | C(CC(O)=O)CN1C(c2cc(ccc2NC1=S)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 1.9026 |
| logD: | -0.911 |
| logSw: | -2.805 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.952 |
| InChI Key: | IAAVISARVXSFCG-UHFFFAOYSA-N |