N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(4-methylpiperidine-1-sulfonyl)-2-(pyridin-3-yl)quinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(4-methylpiperidine-1-sulfonyl)-2-(pyridin-3-yl)quinoline-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(4-methylpiperidine-1-sulfonyl)-2-(pyridin-3-yl)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | K788-1626 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(4-methylpiperidine-1-sulfonyl)-2-(pyridin-3-yl)quinoline-4-carboxamide |
| Molecular Weight: | 544.63 |
| Molecular Formula: | C29 H28 N4 O5 S |
| Smiles: | CC1CCN(CC1)S(c1ccc2c(c1)c(cc(c1cccnc1)n2)C(NCc1ccc2c(c1)OCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7791 |
| logD: | 4.7784 |
| logSw: | -4.2852 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.055 |
| InChI Key: | CTGRRQCHYRHALZ-UHFFFAOYSA-N |