1-(4-methoxyanilino)-N-[4-(propan-2-yl)phenyl]isoquinoline-4-carboxamide
Chemical Structure Depiction of
1-(4-methoxyanilino)-N-[4-(propan-2-yl)phenyl]isoquinoline-4-carboxamide
1-(4-methoxyanilino)-N-[4-(propan-2-yl)phenyl]isoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | C128-0116 |
| Compound Name: | 1-(4-methoxyanilino)-N-[4-(propan-2-yl)phenyl]isoquinoline-4-carboxamide |
| Molecular Weight: | 411.5 |
| Molecular Formula: | C26 H25 N3 O2 |
| Smiles: | CC(C)c1ccc(cc1)NC(c1cnc(c2ccccc12)Nc1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 6.1669 |
| logD: | 6.1632 |
| logSw: | -5.8014 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.292 |
| InChI Key: | SSZPGZMLDHFOBS-UHFFFAOYSA-N |