N-[2-(4-benzylpiperazin-1-yl)ethyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
N-[2-(4-benzylpiperazin-1-yl)ethyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-[2-(4-benzylpiperazin-1-yl)ethyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C066-2437 |
| Compound Name: | N-[2-(4-benzylpiperazin-1-yl)ethyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 494.64 |
| Molecular Formula: | C31 H34 N4 O2 |
| Smiles: | C1CN2C(C(C(NCCN3CCN(CC3)Cc3ccccc3)=O)c3ccccc3C2=O)c2ccccc12 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.2524 |
| logD: | 2.9678 |
| logSw: | -3.4969 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.724 |
| InChI Key: | LRXORLSFCRUXEH-UHFFFAOYSA-N |