4-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]benzoic acid
Chemical Structure Depiction of
4-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]benzoic acid
4-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]benzoic acid
Compound characteristics
| Compound ID: | F207-0345 |
| Compound Name: | 4-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]benzoic acid |
| Molecular Weight: | 356.35 |
| Molecular Formula: | C17 H12 N2 O5 S |
| Smiles: | COC(c1ccc2C(N(C(Nc2c1)=S)c1ccc(cc1)C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8064 |
| logD: | 0.4112 |
| logSw: | -3.4772 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.288 |
| InChI Key: | NUMJXLYZCARZLL-UHFFFAOYSA-N |