13-(4-benzylpiperazine-1-carbonyl)-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Chemical Structure Depiction of
13-(4-benzylpiperazine-1-carbonyl)-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
13-(4-benzylpiperazine-1-carbonyl)-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Compound characteristics
| Compound ID: | C240-0076 |
| Compound Name: | 13-(4-benzylpiperazine-1-carbonyl)-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one |
| Molecular Weight: | 451.57 |
| Molecular Formula: | C29 H29 N3 O2 |
| Smiles: | C1CN2C(C(C(N3CCN(CC3)Cc3ccccc3)=O)c3ccccc3C2=O)c2ccccc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.7317 |
| logD: | 3.6853 |
| logSw: | -4.1723 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 36.135 |
| InChI Key: | DDKQLHHRZLNOCH-UHFFFAOYSA-N |