N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-1-phenyl-1,3,4,5,6,7-hexahydroquinoline-4a(2H)-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-1-phenyl-1,3,4,5,6,7-hexahydroquinoline-4a(2H)-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-1-phenyl-1,3,4,5,6,7-hexahydroquinoline-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | T853-0613 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-oxo-1-phenyl-1,3,4,5,6,7-hexahydroquinoline-4a(2H)-carboxamide |
| Molecular Weight: | 404.46 |
| Molecular Formula: | C24 H24 N2 O4 |
| Smiles: | C1CC=C2C(C1)(CCC(N2c1ccccc1)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4511 |
| logD: | 3.451 |
| logSw: | -3.6409 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.547 |
| InChI Key: | IXMGJNTVHWHVCJ-XMMPIXPASA-N |