4-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)anilino]-4-oxobutanoic acid
Chemical Structure Depiction of
4-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)anilino]-4-oxobutanoic acid
4-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)anilino]-4-oxobutanoic acid
Compound characteristics
Compound ID: | Y205-5790 |
Compound Name: | 4-[4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)anilino]-4-oxobutanoic acid |
Molecular Weight: | 388.44 |
Molecular Formula: | C19 H20 N2 O5 S |
Smiles: | C(CC(Nc1ccc(cc1)S(N1CCc2ccccc2C1)(=O)=O)=O)C(O)=O |
Stereo: | ACHIRAL |
logP: | 1.9259 |
logD: | -1.0235 |
logSw: | -2.6607 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 83.145 |
InChI Key: | BXESGTWWZLOXHR-UHFFFAOYSA-N |