2-(3-methylthiophen-2-yl)-1-(3-nitrobenzene-1-sulfonyl)azepane
Chemical Structure Depiction of
2-(3-methylthiophen-2-yl)-1-(3-nitrobenzene-1-sulfonyl)azepane
2-(3-methylthiophen-2-yl)-1-(3-nitrobenzene-1-sulfonyl)azepane
Compound characteristics
| Compound ID: | J005-0434 |
| Compound Name: | 2-(3-methylthiophen-2-yl)-1-(3-nitrobenzene-1-sulfonyl)azepane |
| Molecular Weight: | 380.48 |
| Molecular Formula: | C17 H20 N2 O4 S2 |
| Smiles: | Cc1ccsc1C1CCCCCN1S(c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4528 |
| logD: | 4.4528 |
| logSw: | -4.2988 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.88 |
| InChI Key: | PCAILHMYSKFTSB-INIZCTEOSA-N |