N-[(5-bromo-2-methoxyphenyl)methyl]-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
N-[(5-bromo-2-methoxyphenyl)methyl]-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-[(5-bromo-2-methoxyphenyl)methyl]-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C289-0212 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-2,3-diethoxy-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 579.49 |
| Molecular Formula: | C30 H31 Br N2 O5 |
| Smiles: | CCOc1cc2CCN3C(C(C(NCc4cc(ccc4OC)[Br])=O)c4ccccc4C3=O)c2cc1OCC |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8629 |
| logD: | 3.8629 |
| logSw: | -3.8888 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.41 |
| InChI Key: | GKEWPZOEESTZGG-UHFFFAOYSA-N |