N-(2-bromo-4-methylphenyl)-1-(2-methoxyanilino)isoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-1-(2-methoxyanilino)isoquinoline-4-carboxamide
N-(2-bromo-4-methylphenyl)-1-(2-methoxyanilino)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C138-0703 |
| Compound Name: | N-(2-bromo-4-methylphenyl)-1-(2-methoxyanilino)isoquinoline-4-carboxamide |
| Molecular Weight: | 462.34 |
| Molecular Formula: | C24 H20 Br N3 O2 |
| Smiles: | Cc1ccc(c(c1)[Br])NC(c1cnc(c2ccccc12)Nc1ccccc1OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8959 |
| logD: | 5.7868 |
| logSw: | -5.5758 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 47.982 |
| InChI Key: | RTBSAAUDDVEFTG-UHFFFAOYSA-N |