1-(3,4-dimethoxybenzene-1-sulfonyl)-2-(3-methylthiophen-2-yl)azepane
Chemical Structure Depiction of
1-(3,4-dimethoxybenzene-1-sulfonyl)-2-(3-methylthiophen-2-yl)azepane
1-(3,4-dimethoxybenzene-1-sulfonyl)-2-(3-methylthiophen-2-yl)azepane
Compound characteristics
| Compound ID: | J005-0545 |
| Compound Name: | 1-(3,4-dimethoxybenzene-1-sulfonyl)-2-(3-methylthiophen-2-yl)azepane |
| Molecular Weight: | 395.54 |
| Molecular Formula: | C19 H25 N O4 S2 |
| Smiles: | Cc1ccsc1C1CCCCCN1S(c1ccc(c(c1)OC)OC)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1986 |
| logD: | 4.1986 |
| logSw: | -4.265 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.759 |
| InChI Key: | WOFGNKNIVROMCB-INIZCTEOSA-N |