4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzoic acid
Chemical Structure Depiction of
4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzoic acid
4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzoic acid
Compound characteristics
Compound ID: | K287-0238 |
Compound Name: | 4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzoic acid |
Molecular Weight: | 312.34 |
Molecular Formula: | C16 H12 N2 O3 S |
Smiles: | C(c1ccc(cc1)C(O)=O)N1C(c2ccccc2NC1=S)=O |
Stereo: | ACHIRAL |
logP: | 3.3074 |
logD: | 0.3359 |
logSw: | -3.5782 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 55.726 |
InChI Key: | FJVVHJQAUCPBBN-UHFFFAOYSA-N |