1-(3-nitrobenzene-1-sulfonyl)-2-(thiophen-2-yl)azepane
Chemical Structure Depiction of
1-(3-nitrobenzene-1-sulfonyl)-2-(thiophen-2-yl)azepane
1-(3-nitrobenzene-1-sulfonyl)-2-(thiophen-2-yl)azepane
Compound characteristics
| Compound ID: | J005-0433 |
| Compound Name: | 1-(3-nitrobenzene-1-sulfonyl)-2-(thiophen-2-yl)azepane |
| Molecular Weight: | 366.46 |
| Molecular Formula: | C16 H18 N2 O4 S2 |
| Smiles: | C1CCC(c2cccs2)N(CC1)S(c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8835 |
| logD: | 3.8835 |
| logSw: | -3.9286 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.88 |
| InChI Key: | BXVJPHIMNYKLQN-HNNXBMFYSA-N |