N-{[4-(methylsulfanyl)phenyl]methyl}-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
N-{[4-(methylsulfanyl)phenyl]methyl}-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
Compound characteristics
| Compound ID: | L162-0709 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide |
| Molecular Weight: | 468.62 |
| Molecular Formula: | C28 H28 N4 O S |
| Smiles: | CSc1ccc(CNC(c2ccc3ccnc(c3c2)N2CCN(CC2)c2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.6492 |
| logD: | 5.6356 |
| logSw: | -5.733 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.074 |
| InChI Key: | YSIUOLFLPQYSBE-UHFFFAOYSA-N |