13-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-10,11-dimethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Chemical Structure Depiction of
13-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-10,11-dimethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
13-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-10,11-dimethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Compound characteristics
| Compound ID: | C358-0087 |
| Compound Name: | 13-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-10,11-dimethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one |
| Molecular Weight: | 555.63 |
| Molecular Formula: | C32 H33 N3 O6 |
| Smiles: | COc1cc2C(C3c4ccccc4CCN3C(c2cc1OC)=O)C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.343 |
| logD: | 2.9068 |
| logSw: | -3.5099 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.511 |
| InChI Key: | FHYSDODAMGPPER-UHFFFAOYSA-N |