6-(azepane-1-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
6-(azepane-1-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-2684 |
| Compound Name: | 6-(azepane-1-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-1-(prop-2-en-1-yl)-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 553.68 |
| Molecular Formula: | C29 H35 N3 O6 S |
| Smiles: | COc1ccc(CCNC(C2=CN(CC=C)c3ccc(cc3C2=O)S(N2CCCCCC2)(=O)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.0737 |
| logD: | 3.0737 |
| logSw: | -3.6723 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.37 |
| InChI Key: | SJHPGCJTKPTKSO-UHFFFAOYSA-N |