1-(2-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-5-nitrobenzene-1-sulfonyl)azepane
Chemical Structure Depiction of
1-(2-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-5-nitrobenzene-1-sulfonyl)azepane
1-(2-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-5-nitrobenzene-1-sulfonyl)azepane
Compound characteristics
| Compound ID: | 8007-0242 |
| Compound Name: | 1-(2-{2-[(2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-5-nitrobenzene-1-sulfonyl)azepane |
| Molecular Weight: | 446.48 |
| Molecular Formula: | C20 H22 N4 O6 S |
| Smiles: | C1CCCN(CC1)S(c1cc(ccc1N/N=C/c1ccc2c(c1)OCO2)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2838 |
| logD: | 4.2838 |
| logSw: | -4.2549 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 103.217 |
| InChI Key: | GMAJVYZSSJXIDX-UHFFFAOYSA-N |