4-{[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzoic acid
Chemical Structure Depiction of
4-{[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzoic acid
4-{[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzoic acid
Compound characteristics
| Compound ID: | F207-0457 |
| Compound Name: | 4-{[7-(methoxycarbonyl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]methyl}benzoic acid |
| Molecular Weight: | 370.38 |
| Molecular Formula: | C18 H14 N2 O5 S |
| Smiles: | COC(c1ccc2C(N(Cc3ccc(cc3)C(O)=O)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3977 |
| logD: | 0.4262 |
| logSw: | -3.7641 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.9 |
| InChI Key: | BSHCEEVOKPQYAJ-UHFFFAOYSA-N |