3-(azepane-1-carbonyl)-6-(3,5-dimethylpiperidine-1-sulfonyl)-1-ethylquinolin-4(1H)-one
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-6-(3,5-dimethylpiperidine-1-sulfonyl)-1-ethylquinolin-4(1H)-one
3-(azepane-1-carbonyl)-6-(3,5-dimethylpiperidine-1-sulfonyl)-1-ethylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | C519-1900 |
| Compound Name: | 3-(azepane-1-carbonyl)-6-(3,5-dimethylpiperidine-1-sulfonyl)-1-ethylquinolin-4(1H)-one |
| Molecular Weight: | 473.63 |
| Molecular Formula: | C25 H35 N3 O4 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CC(C)CC(C)C1)(=O)=O)=O)C(N1CCCCCC1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7461 |
| logD: | 3.7461 |
| logSw: | -3.9473 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 64.116 |
| InChI Key: | AOKCYEWJNPUDCI-UHFFFAOYSA-N |