8-(azepane-1-sulfonyl)-2-[(2H-1,3-benzodioxol-5-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Chemical Structure Depiction of
8-(azepane-1-sulfonyl)-2-[(2H-1,3-benzodioxol-5-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
8-(azepane-1-sulfonyl)-2-[(2H-1,3-benzodioxol-5-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
Compound characteristics
| Compound ID: | M113-0561 |
| Compound Name: | 8-(azepane-1-sulfonyl)-2-[(2H-1,3-benzodioxol-5-yl)methyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one |
| Molecular Weight: | 430.48 |
| Molecular Formula: | C20 H22 N4 O5 S |
| Smiles: | C1CCCN(CC1)S(C1=CC=CN2C1=NN(Cc1ccc3c(c1)OCO3)C2=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6138 |
| logD: | 2.6138 |
| logSw: | -2.9487 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.459 |
| InChI Key: | FDPXYCAUCJEMON-UHFFFAOYSA-N |