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
Available: 2 mg
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mg
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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
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