1-[4-(2-fluorophenyl)piperazin-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}isoquinoline-7-carboxamide
Chemical Structure Depiction of
1-[4-(2-fluorophenyl)piperazin-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}isoquinoline-7-carboxamide
1-[4-(2-fluorophenyl)piperazin-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}isoquinoline-7-carboxamide
Compound characteristics
| Compound ID: | L162-0531 |
| Compound Name: | 1-[4-(2-fluorophenyl)piperazin-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}isoquinoline-7-carboxamide |
| Molecular Weight: | 486.61 |
| Molecular Formula: | C28 H27 F N4 O S |
| Smiles: | CSc1ccc(CNC(c2ccc3ccnc(c3c2)N2CCN(CC2)c2ccccc2F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.8277 |
| logD: | 5.8141 |
| logSw: | -5.7338 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.773 |
| InChI Key: | TXTXUOSGHRIQCA-UHFFFAOYSA-N |