N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-methoxyethyl)-2-oxo-1,3,4,5,6,7-hexahydroquinoline-4a(2H)-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-methoxyethyl)-2-oxo-1,3,4,5,6,7-hexahydroquinoline-4a(2H)-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-methoxyethyl)-2-oxo-1,3,4,5,6,7-hexahydroquinoline-4a(2H)-carboxamide
Compound characteristics
| Compound ID: | T853-0481 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-1-(2-methoxyethyl)-2-oxo-1,3,4,5,6,7-hexahydroquinoline-4a(2H)-carboxamide |
| Molecular Weight: | 386.45 |
| Molecular Formula: | C21 H26 N2 O5 |
| Smiles: | COCCN1C2=CCCCC2(CCC1=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4479 |
| logD: | 2.4479 |
| logSw: | -2.7646 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.751 |
| InChI Key: | YKAJLMYKRHHYCQ-OAQYLSRUSA-N |