2-(5-methylthiophen-2-yl)-1-(3-nitrobenzene-1-sulfonyl)azepane
Chemical Structure Depiction of
2-(5-methylthiophen-2-yl)-1-(3-nitrobenzene-1-sulfonyl)azepane
2-(5-methylthiophen-2-yl)-1-(3-nitrobenzene-1-sulfonyl)azepane
Compound characteristics
| Compound ID: | J005-0435 |
| Compound Name: | 2-(5-methylthiophen-2-yl)-1-(3-nitrobenzene-1-sulfonyl)azepane |
| Molecular Weight: | 380.48 |
| Molecular Formula: | C17 H20 N2 O4 S2 |
| Smiles: | Cc1ccc(C2CCCCCN2S(c2cccc(c2)[N+]([O-])=O)(=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.592 |
| logD: | 4.592 |
| logSw: | -4.3626 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.88 |
| InChI Key: | FBTUVTYURQLBLE-INIZCTEOSA-N |