6-(azepane-1-sulfonyl)-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Chemical Structure Depiction of
6-(azepane-1-sulfonyl)-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
6-(azepane-1-sulfonyl)-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide
Compound characteristics
| Compound ID: | K786-4245 |
| Compound Name: | 6-(azepane-1-sulfonyl)-N-[3-(3,4-dihydroisoquinolin-2(1H)-yl)propyl]-2-oxo-1,2-dihydroquinoline-4-carboxamide |
| Molecular Weight: | 522.67 |
| Molecular Formula: | C28 H34 N4 O4 S |
| Smiles: | C1CCCN(CC1)S(c1ccc2c(c1)C(=CC(N2)=O)C(NCCCN1CCc2ccccc2C1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2563 |
| logD: | 2.1065 |
| logSw: | -3.6708 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 85 |
| InChI Key: | RHYMMPFOGSERNB-UHFFFAOYSA-N |