N-{[4-(dimethylamino)phenyl]methyl}-1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide
Chemical Structure Depiction of
N-{[4-(dimethylamino)phenyl]methyl}-1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide
N-{[4-(dimethylamino)phenyl]methyl}-1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide
Compound characteristics
| Compound ID: | L162-0380 |
| Compound Name: | N-{[4-(dimethylamino)phenyl]methyl}-1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide |
| Molecular Weight: | 483.59 |
| Molecular Formula: | C29 H30 F N5 O |
| Smiles: | CN(C)c1ccc(CNC(c2ccc3ccnc(c3c2)N2CCN(CC2)c2ccc(cc2)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1705 |
| logD: | 5.1551 |
| logSw: | -5.2486 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.879 |
| InChI Key: | NFOHIZKFFPOWEC-UHFFFAOYSA-N |