1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-(4-methylpiperidine-1-sulfonyl)quinolin-2(1H)-one
Chemical Structure Depiction of
1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-(4-methylpiperidine-1-sulfonyl)quinolin-2(1H)-one
1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-(4-methylpiperidine-1-sulfonyl)quinolin-2(1H)-one
Compound characteristics
| Compound ID: | G853-0202 |
| Compound Name: | 1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-6-(4-methylpiperidine-1-sulfonyl)quinolin-2(1H)-one |
| Molecular Weight: | 479.6 |
| Molecular Formula: | C26 H29 N3 O4 S |
| Smiles: | CC1CCN(CC1)S(c1ccc2c(C=CC(N2CC(N2CCc3ccccc3C2)=O)=O)c1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3785 |
| logD: | 3.3785 |
| logSw: | -3.9262 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 63.384 |
| InChI Key: | XWCDBTNUQBUCJZ-UHFFFAOYSA-N |