3-(azepane-1-sulfonyl)-N-(6-cyano-2H-1,3-benzodioxol-5-yl)benzamide
Chemical Structure Depiction of
3-(azepane-1-sulfonyl)-N-(6-cyano-2H-1,3-benzodioxol-5-yl)benzamide
3-(azepane-1-sulfonyl)-N-(6-cyano-2H-1,3-benzodioxol-5-yl)benzamide
Compound characteristics
| Compound ID: | 8015-4313 |
| Compound Name: | 3-(azepane-1-sulfonyl)-N-(6-cyano-2H-1,3-benzodioxol-5-yl)benzamide |
| Molecular Weight: | 427.48 |
| Molecular Formula: | C21 H21 N3 O5 S |
| Smiles: | C1CCCN(CC1)S(c1cccc(c1)C(Nc1cc2c(cc1C#N)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2997 |
| logD: | 2.361 |
| logSw: | -3.8085 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.845 |
| InChI Key: | XDMCXOGTDKGKRD-UHFFFAOYSA-N |