N-[(5-bromo-2-methoxyphenyl)methyl]-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]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-[(5-bromo-2-methoxyphenyl)methyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C066-2273 |
| Compound Name: | N-[(5-bromo-2-methoxyphenyl)methyl]-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 491.38 |
| Molecular Formula: | C26 H23 Br N2 O3 |
| Smiles: | COc1ccc(cc1CNC(C1C2c3ccccc3CCN2C(c2ccccc12)=O)=O)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.4217 |
| logD: | 4.4217 |
| logSw: | -4.2734 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.99 |
| InChI Key: | LJMJVRMSTHLPCI-UHFFFAOYSA-N |