3-(azepane-1-carbonyl)-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethylquinolin-4(1H)-one
Chemical Structure Depiction of
3-(azepane-1-carbonyl)-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethylquinolin-4(1H)-one
3-(azepane-1-carbonyl)-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethylquinolin-4(1H)-one
Compound characteristics
| Compound ID: | C519-2006 |
| Compound Name: | 3-(azepane-1-carbonyl)-6-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)-1-ethylquinolin-4(1H)-one |
| Molecular Weight: | 493.62 |
| Molecular Formula: | C27 H31 N3 O4 S |
| Smiles: | CCN1C=C(C(c2cc(ccc12)S(N1CCc2ccccc2C1)(=O)=O)=O)C(N1CCCCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8259 |
| logD: | 3.8259 |
| logSw: | -3.9098 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.911 |
| InChI Key: | UFUCOXMUGNNXRJ-UHFFFAOYSA-N |