1-[4-(furan-2-carbonyl)piperazin-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}isoquinoline-7-carboxamide
Chemical Structure Depiction of
1-[4-(furan-2-carbonyl)piperazin-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}isoquinoline-7-carboxamide
1-[4-(furan-2-carbonyl)piperazin-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}isoquinoline-7-carboxamide
Compound characteristics
| Compound ID: | L162-0871 |
| Compound Name: | 1-[4-(furan-2-carbonyl)piperazin-1-yl]-N-{[4-(methylsulfanyl)phenyl]methyl}isoquinoline-7-carboxamide |
| Molecular Weight: | 486.59 |
| Molecular Formula: | C27 H26 N4 O3 S |
| Smiles: | CSc1ccc(CNC(c2ccc3ccnc(c3c2)N2CCN(CC2)C(c2ccco2)=O)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.2221 |
| logD: | 4.2008 |
| logSw: | -4.1061 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.848 |
| InChI Key: | PTKLCKNMVJKGQY-UHFFFAOYSA-N |