3-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]benzoic acid
Chemical Structure Depiction of
3-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]benzoic acid
3-[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]benzoic acid
Compound characteristics
| Compound ID: | F207-0401 |
| Compound Name: | 3-[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)c1cccc(c1)C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8955 |
| logD: | 0.2059 |
| logSw: | -3.5466 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.288 |
| InChI Key: | TVHOVOOOIYQJOV-UHFFFAOYSA-N |