N-[(2H-1,3-benzodioxol-5-yl)methyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C240-0165 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 426.47 |
| Molecular Formula: | C26 H22 N2 O4 |
| Smiles: | C1CN2C(C(C(NCc3ccc4c(c3)OCO4)=O)c3ccccc3C2=O)c2ccccc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4415 |
| logD: | 3.4415 |
| logSw: | -3.7055 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.475 |
| InChI Key: | VOTBMTJAYCVWCH-UHFFFAOYSA-N |