1-(3,4-dimethoxybenzene-1-sulfonyl)-2-(5-methylthiophen-2-yl)azepane
Chemical Structure Depiction of
1-(3,4-dimethoxybenzene-1-sulfonyl)-2-(5-methylthiophen-2-yl)azepane
1-(3,4-dimethoxybenzene-1-sulfonyl)-2-(5-methylthiophen-2-yl)azepane
Compound characteristics
| Compound ID: | J005-0546 |
| Compound Name: | 1-(3,4-dimethoxybenzene-1-sulfonyl)-2-(5-methylthiophen-2-yl)azepane |
| Molecular Weight: | 395.54 |
| Molecular Formula: | C19 H25 N O4 S2 |
| Smiles: | Cc1ccc(C2CCCCCN2S(c2ccc(c(c2)OC)OC)(=O)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3378 |
| logD: | 4.3378 |
| logSw: | -4.2999 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 48.759 |
| InChI Key: | JLYILUODWJOYLK-INIZCTEOSA-N |