N-(4-bromo-2-methylphenyl)-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
N-(4-bromo-2-methylphenyl)-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide
Compound characteristics
| Compound ID: | C240-0029 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-8-oxo-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline-13-carboxamide |
| Molecular Weight: | 461.36 |
| Molecular Formula: | C25 H21 Br N2 O2 |
| Smiles: | Cc1cc(ccc1NC(C1C2c3ccccc3CCN2C(c2ccccc12)=O)=O)[Br] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2177 |
| logD: | 5.2075 |
| logSw: | -5.0256 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.339 |
| InChI Key: | OZIGBXBNKVVEJV-UHFFFAOYSA-N |