13-(4-benzylpiperazine-1-carbonyl)-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Chemical Structure Depiction of
13-(4-benzylpiperazine-1-carbonyl)-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
13-(4-benzylpiperazine-1-carbonyl)-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one
Compound characteristics
| Compound ID: | C289-0076 |
| Compound Name: | 13-(4-benzylpiperazine-1-carbonyl)-2,3-diethoxy-5,6,13,13a-tetrahydro-8H-isoquinolino[3,2-a]isoquinolin-8-one |
| Molecular Weight: | 539.68 |
| Molecular Formula: | C33 H37 N3 O4 |
| Smiles: | CCOc1cc2CCN3C(C(C(N4CCN(CC4)Cc4ccccc4)=O)c4ccccc4C3=O)c2cc1OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1729 |
| logD: | 3.1264 |
| logSw: | -3.4684 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 50.555 |
| InChI Key: | MCVLDHLHKAKPAL-UHFFFAOYSA-N |