N-butyl-1-[4-(2-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide
Chemical Structure Depiction of
N-butyl-1-[4-(2-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide
N-butyl-1-[4-(2-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide
Compound characteristics
| Compound ID: | L162-0503 |
| Compound Name: | N-butyl-1-[4-(2-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide |
| Molecular Weight: | 406.5 |
| Molecular Formula: | C24 H27 F N4 O |
| Smiles: | CCCCNC(c1ccc2ccnc(c2c1)N1CCN(CC1)c1ccccc1F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9209 |
| logD: | 4.9073 |
| logSw: | -4.7526 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.886 |
| InChI Key: | OVJYVXPFOBANHZ-UHFFFAOYSA-N |