N-butyl-1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide
Chemical Structure Depiction of
N-butyl-1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide
N-butyl-1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide
Compound characteristics
| Compound ID: | L162-0350 |
| Compound Name: | N-butyl-1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide |
| Molecular Weight: | 406.5 |
| Molecular Formula: | C24 H27 F N4 O |
| Smiles: | CCCCNC(c1ccc2ccnc(c2c1)N1CCN(CC1)c1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.893 |
| logD: | 4.8794 |
| logSw: | -4.8228 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.187 |
| InChI Key: | XXJAAHKUPOMNML-UHFFFAOYSA-N |