2-[5-(azepane-1-sulfonyl)-2-oxopyridin-1(2H)-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
Chemical Structure Depiction of
2-[5-(azepane-1-sulfonyl)-2-oxopyridin-1(2H)-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
2-[5-(azepane-1-sulfonyl)-2-oxopyridin-1(2H)-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide
Compound characteristics
| Compound ID: | P511-1683 |
| Compound Name: | 2-[5-(azepane-1-sulfonyl)-2-oxopyridin-1(2H)-yl]-N-[(2H-1,3-benzodioxol-5-yl)methyl]acetamide |
| Molecular Weight: | 447.51 |
| Molecular Formula: | C21 H25 N3 O6 S |
| Smiles: | C1CCCN(CC1)S(C1C=CC(N(CC(NCc2ccc3c(c2)OCO3)=O)C=1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4257 |
| logD: | 1.4257 |
| logSw: | -2.6218 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.378 |
| InChI Key: | IHPHIXXZBAZGBJ-UHFFFAOYSA-N |