ethyl [4-(azepane-1-carbonyl)-2-nitrobenzene-1-sulfonyl]acetate
Chemical Structure Depiction of
ethyl [4-(azepane-1-carbonyl)-2-nitrobenzene-1-sulfonyl]acetate
ethyl [4-(azepane-1-carbonyl)-2-nitrobenzene-1-sulfonyl]acetate
Compound characteristics
| Compound ID: | K781-8418 |
| Compound Name: | ethyl [4-(azepane-1-carbonyl)-2-nitrobenzene-1-sulfonyl]acetate |
| Molecular Weight: | 398.43 |
| Molecular Formula: | C17 H22 N2 O7 S |
| Smiles: | CCOC(CS(c1ccc(cc1[N+]([O-])=O)C(N1CCCCCC1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2426 |
| logD: | 2.2426 |
| logSw: | -2.7099 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 99.493 |
| InChI Key: | CYVMAZGSWUPLLW-UHFFFAOYSA-N |