N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,3-diethoxy-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]-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C289-0223 |
| Compound Name: | N-[2-(4-benzylpiperazin-1-yl)ethyl]-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 582.74 |
| Molecular Formula: | C35 H42 N4 O4 |
| Smiles: | CCOc1cc2CCN3C(C(C(NCCN4CCN(CC4)Cc4ccccc4)=O)c4ccccc4C3=O)c2cc1OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6935 |
| logD: | 2.409 |
| logSw: | -3.2975 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.144 |
| InChI Key: | CEVAVFLAJQEJNH-UHFFFAOYSA-N |