13-(4-benzylpiperazine-1-carbonyl)-10,11-dimethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Chemical Structure Depiction of
13-(4-benzylpiperazine-1-carbonyl)-10,11-dimethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
13-(4-benzylpiperazine-1-carbonyl)-10,11-dimethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Compound characteristics
| Compound ID: | C358-0076 |
| Compound Name: | 13-(4-benzylpiperazine-1-carbonyl)-10,11-dimethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one |
| Molecular Weight: | 511.62 |
| Molecular Formula: | C31 H33 N3 O4 |
| Smiles: | COc1cc2C(C3c4ccccc4CCN3C(c2cc1OC)=O)C(N1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4718 |
| logD: | 3.4254 |
| logSw: | -3.6433 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 51.396 |
| InChI Key: | KJDJEVZYYHMFIX-UHFFFAOYSA-N |