2-[5-(azepane-1-sulfonyl)-2-oxopyridin-1(2H)-yl]-N-(2H-1,3-benzodioxol-5-yl)acetamide
Chemical Structure Depiction of
2-[5-(azepane-1-sulfonyl)-2-oxopyridin-1(2H)-yl]-N-(2H-1,3-benzodioxol-5-yl)acetamide
2-[5-(azepane-1-sulfonyl)-2-oxopyridin-1(2H)-yl]-N-(2H-1,3-benzodioxol-5-yl)acetamide
Compound characteristics
Compound ID: | P511-1620 |
Compound Name: | 2-[5-(azepane-1-sulfonyl)-2-oxopyridin-1(2H)-yl]-N-(2H-1,3-benzodioxol-5-yl)acetamide |
Molecular Weight: | 433.48 |
Molecular Formula: | C20 H23 N3 O6 S |
Smiles: | C1CCCN(CC1)S(C1C=CC(N(CC(Nc2ccc3c(c2)OCO3)=O)C=1)=O)(=O)=O |
Stereo: | ACHIRAL |
logP: | 1.768 |
logD: | 1.7679 |
logSw: | -2.7649 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 89.056 |
InChI Key: | JSTIPRSRYWIBOT-UHFFFAOYSA-N |