3-(azepane-1-sulfonyl)-N-(6-cyano-2H-1,3-benzodioxol-5-yl)-4-methoxybenzamide
Chemical Structure Depiction of
3-(azepane-1-sulfonyl)-N-(6-cyano-2H-1,3-benzodioxol-5-yl)-4-methoxybenzamide
3-(azepane-1-sulfonyl)-N-(6-cyano-2H-1,3-benzodioxol-5-yl)-4-methoxybenzamide
Compound characteristics
| Compound ID: | 8015-5602 |
| Compound Name: | 3-(azepane-1-sulfonyl)-N-(6-cyano-2H-1,3-benzodioxol-5-yl)-4-methoxybenzamide |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C22 H23 N3 O6 S |
| Smiles: | COc1ccc(cc1S(N1CCCCCC1)(=O)=O)C(Nc1cc2c(cc1C#N)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1994 |
| logD: | 2.5168 |
| logSw: | -3.5794 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.476 |
| InChI Key: | DVQACKPKZRBBEG-UHFFFAOYSA-N |