4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanoic acid
Chemical Structure Depiction of
4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanoic acid
4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanoic acid
Compound characteristics
| Compound ID: | K284-7383 |
| Compound Name: | 4-(6,7-diethoxy-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanoic acid |
| Molecular Weight: | 352.41 |
| Molecular Formula: | C16 H20 N2 O5 S |
| Smiles: | CCOc1cc2C(N(CCCC(O)=O)C(Nc2cc1OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9344 |
| logD: | -1.8792 |
| logSw: | -2.379 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.372 |
| InChI Key: | DXZBEZCWWPHNIN-UHFFFAOYSA-N |