N-(4-bromo-2-methylphenyl)-2-(3,4-dimethylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-2-(3,4-dimethylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-(4-bromo-2-methylphenyl)-2-(3,4-dimethylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | K937-0739 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-2-(3,4-dimethylphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 461.36 |
| Molecular Formula: | C25 H21 Br N2 O2 |
| Smiles: | Cc1ccc(cc1C)N1C=C(C(Nc2ccc(cc2C)[Br])=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 5.7064 |
| logD: | 5.69 |
| logSw: | -5.4575 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.148 |
| InChI Key: | QHAIEQXMHMSYGQ-UHFFFAOYSA-N |