N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-propanamidophenyl)quinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-propanamidophenyl)quinoline-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-propanamidophenyl)quinoline-4-carboxamide
Compound characteristics
| Compound ID: | L036-0050 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-(4-propanamidophenyl)quinoline-4-carboxamide |
| Molecular Weight: | 453.5 |
| Molecular Formula: | C27 H23 N3 O4 |
| Smiles: | [H]c1ccc2c(c1)c(cc(c1ccc(cc1)NC(CC)=O)n2)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1413 |
| logD: | 5.1413 |
| logSw: | -5.1418 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.976 |
| InChI Key: | WVBBZFJUYKZKBH-UHFFFAOYSA-N |