6-(azepane-1-sulfonyl)-N-{3-[ethyl(phenyl)amino]propyl}-2-oxo-1,2-dihydroquinoline-4-carboxamide
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-N-{3-[ethyl(phenyl)amino]propyl}-2-oxo-1,2-dihydroquinoline-4-carboxamide
6-(azepane-1-sulfonyl)-N-{3-[ethyl(phenyl)amino]propyl}-2-oxo-1,2-dihydroquinoline-4-carboxamide
Compound characteristics
| Compound ID: | K786-1140 |
| Compound Name: | 6-(azepane-1-sulfonyl)-N-{3-[ethyl(phenyl)amino]propyl}-2-oxo-1,2-dihydroquinoline-4-carboxamide |
| Molecular Weight: | 510.66 |
| Molecular Formula: | C27 H34 N4 O4 S |
| Smiles: | CCN(CCCNC(C1=CC(Nc2ccc(cc12)S(N1CCCCCC1)(=O)=O)=O)=O)c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 3.7106 |
| logD: | 3.6589 |
| logSw: | -3.8972 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.346 |
| InChI Key: | IRFIAQKWTCSHFK-UHFFFAOYSA-N |