6-(azepane-1-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(pyridin-3-yl)quinoline-4-carboxamide
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(pyridin-3-yl)quinoline-4-carboxamide
6-(azepane-1-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(pyridin-3-yl)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K788-1222 |
| Compound Name: | 6-(azepane-1-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-2-(pyridin-3-yl)quinoline-4-carboxamide |
| Molecular Weight: | 574.7 |
| Molecular Formula: | C31 H34 N4 O5 S |
| Smiles: | COc1ccc(CCNC(c2cc(c3cccnc3)nc3ccc(cc23)S(N2CCCCCC2)(=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.3385 |
| logD: | 4.3378 |
| logSw: | -4.0196 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.373 |
| InChI Key: | AQZZDOFWJJYOFZ-UHFFFAOYSA-N |