6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-[(2,5-dimethylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-[(2,5-dimethylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-[(2,5-dimethylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
Compound ID: | P047-0245 |
Compound Name: | 6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-2-[(2,5-dimethylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
Molecular Weight: | 448.54 |
Molecular Formula: | C24 H24 N4 O3 S |
Smiles: | Cc1ccc(C)c(CN2C(N3C=C(C=CC3=N2)S(N2CCc3ccccc3C2)(=O)=O)=O)c1 |
Stereo: | ACHIRAL |
logP: | 4.4287 |
logD: | 4.4284 |
logSw: | -4.2789 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 64.172 |
InChI Key: | GQRUDNZMBKPMTO-UHFFFAOYSA-N |