5-(azepane-1-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chlorobenzamide
Chemical Structure Depiction of
5-(azepane-1-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chlorobenzamide
5-(azepane-1-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chlorobenzamide
Compound characteristics
| Compound ID: | L586-0930 |
| Compound Name: | 5-(azepane-1-sulfonyl)-N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-chlorobenzamide |
| Molecular Weight: | 450.94 |
| Molecular Formula: | C21 H23 Cl N2 O5 S |
| Smiles: | C1CCCN(CC1)S(c1ccc(c(c1)C(NCc1ccc2c(c1)OCO2)=O)[Cl])(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2678 |
| logD: | 4.2678 |
| logSw: | -4.5977 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.809 |
| InChI Key: | CYKKKEXIMXDFBM-UHFFFAOYSA-N |