8-(azepane-1-sulfonyl)-2-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
8-(azepane-1-sulfonyl)-2-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
8-(azepane-1-sulfonyl)-2-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
Compound ID: | M113-0551 |
Compound Name: | 8-(azepane-1-sulfonyl)-2-[(4-methylphenyl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
Molecular Weight: | 400.5 |
Molecular Formula: | C20 H24 N4 O3 S |
Smiles: | Cc1ccc(CN2C(N3C=CC=C(C3=N2)S(N2CCCCCC2)(=O)=O)=O)cc1 |
Stereo: | ACHIRAL |
logP: | 3.166 |
logD: | 3.166 |
logSw: | -3.2319 |
Hydrogen bond acceptors count: | 8 |
Polar surface area: | 63.343 |
InChI Key: | GXBREJPLPULGLV-UHFFFAOYSA-N |