1-{5-[3-(azepane-1-sulfonyl)benzene-1-sulfonyl]-2-methylbenzene-1-sulfonyl}azepane
Chemical Structure Depiction of
1-{5-[3-(azepane-1-sulfonyl)benzene-1-sulfonyl]-2-methylbenzene-1-sulfonyl}azepane
1-{5-[3-(azepane-1-sulfonyl)benzene-1-sulfonyl]-2-methylbenzene-1-sulfonyl}azepane
Compound characteristics
| Compound ID: | 8007-6719 |
| Compound Name: | 1-{5-[3-(azepane-1-sulfonyl)benzene-1-sulfonyl]-2-methylbenzene-1-sulfonyl}azepane |
| Molecular Weight: | 554.75 |
| Molecular Formula: | C25 H34 N2 O6 S3 |
| Smiles: | Cc1ccc(cc1S(N1CCCCCC1)(=O)=O)S(c1cccc(c1)S(N1CCCCCC1)(=O)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8766 |
| logD: | 4.8766 |
| logSw: | -4.5485 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 93.823 |
| InChI Key: | XOBYKGJIHAHLGF-UHFFFAOYSA-N |