N-cyclohexyl-2,3-diethoxy-8-oxo-N-[(thiophen-2-yl)methyl]-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
N-cyclohexyl-2,3-diethoxy-8-oxo-N-[(thiophen-2-yl)methyl]-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-cyclohexyl-2,3-diethoxy-8-oxo-N-[(thiophen-2-yl)methyl]-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C289-0181 |
| Compound Name: | N-cyclohexyl-2,3-diethoxy-8-oxo-N-[(thiophen-2-yl)methyl]-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 558.74 |
| Molecular Formula: | C33 H38 N2 O4 S |
| Smiles: | CCOc1cc2CCN3C(C(C(N(Cc4cccs4)C4CCCCC4)=O)c4ccccc4C3=O)c2cc1OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2047 |
| logD: | 5.2047 |
| logSw: | -4.8823 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.569 |
| InChI Key: | WQVDXQYVKMKCTI-UHFFFAOYSA-N |