N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-2-phenylquinoline-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-2-phenylquinoline-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-2-phenylquinoline-4-carboxamide
Compound characteristics
| Compound ID: | Y501-0876 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-methyl-2-phenylquinoline-4-carboxamide |
| Molecular Weight: | 396.44 |
| Molecular Formula: | C25 H20 N2 O3 |
| Smiles: | Cc1c(C(NCc2ccc3c(c2)OCO3)=O)c2ccccc2nc1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 4.8317 |
| logD: | 4.8316 |
| logSw: | -4.9796 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.597 |
| InChI Key: | HATTWJLHUIGQHO-UHFFFAOYSA-N |