N~1~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~4~-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide
Chemical Structure Depiction of
N~1~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~4~-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide
N~1~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~4~-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide
Compound characteristics
| Compound ID: | C227-0165 |
| Compound Name: | N~1~-[(2H-1,3-benzodioxol-5-yl)methyl]-N~4~-[4-methyl-2-(piperidin-1-yl)quinolin-6-yl]butanediamide |
| Molecular Weight: | 474.56 |
| Molecular Formula: | C27 H30 N4 O4 |
| Smiles: | Cc1cc(nc2ccc(cc12)NC(CCC(NCc1ccc2c(c1)OCO2)=O)=O)N1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.4002 |
| logD: | 4.3998 |
| logSw: | -4.294 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.95 |
| InChI Key: | USLIHTJKYCEPLO-UHFFFAOYSA-N |