6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-N-[(4-methoxyphenyl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-N-[(4-methoxyphenyl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-N-[(4-methoxyphenyl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
Compound ID: | K692-0080 |
Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-N-[(4-methoxyphenyl)methyl]-4-oxo-1,4-dihydroquinoline-3-carboxamide |
Molecular Weight: | 503.58 |
Molecular Formula: | C27 H25 N3 O5 S |
Smiles: | COc1ccc(CNC(C2=CNc3ccc(cc3C2=O)S(N2CCc3ccccc3C2)(=O)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.5998 |
logD: | 2.3555 |
logSw: | -3.9517 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 87.688 |
InChI Key: | IMMZDPAGIFWMTF-UHFFFAOYSA-N |