6-(azepane-1-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
6-(azepane-1-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide
Compound characteristics
| Compound ID: | C519-1627 |
| Compound Name: | 6-(azepane-1-sulfonyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyl-4-oxo-1,4-dihydroquinoline-3-carboxamide |
| Molecular Weight: | 541.67 |
| Molecular Formula: | C28 H35 N3 O6 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCCCCC1)(=O)=O)=O)C(NCCc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8336 |
| logD: | 2.8336 |
| logSw: | -3.6677 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.116 |
| InChI Key: | JSOHEMDAPSLEDO-UHFFFAOYSA-N |