N-(4-bromo-2-methylphenyl)-1-(4-methoxyanilino)isoquinoline-4-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-1-(4-methoxyanilino)isoquinoline-4-carboxamide
N-(4-bromo-2-methylphenyl)-1-(4-methoxyanilino)isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C128-0037 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-1-(4-methoxyanilino)isoquinoline-4-carboxamide |
| Molecular Weight: | 462.34 |
| Molecular Formula: | C24 H20 Br N3 O2 |
| Smiles: | Cc1cc(ccc1NC(c1cnc(c2ccccc12)Nc1ccc(cc1)OC)=O)[Br] |
| Stereo: | ACHIRAL |
| logP: | 5.8451 |
| logD: | 5.8413 |
| logSw: | -5.6571 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 48.594 |
| InChI Key: | FASYTOOLUITMDS-UHFFFAOYSA-N |