1-[4-(4-fluorophenyl)piperazin-1-yl]-N-({4-[(propan-2-yl)oxy]phenyl}methyl)isoquinoline-7-carboxamide
Chemical Structure Depiction of
1-[4-(4-fluorophenyl)piperazin-1-yl]-N-({4-[(propan-2-yl)oxy]phenyl}methyl)isoquinoline-7-carboxamide
1-[4-(4-fluorophenyl)piperazin-1-yl]-N-({4-[(propan-2-yl)oxy]phenyl}methyl)isoquinoline-7-carboxamide
Compound characteristics
| Compound ID: | L162-0387 |
| Compound Name: | 1-[4-(4-fluorophenyl)piperazin-1-yl]-N-({4-[(propan-2-yl)oxy]phenyl}methyl)isoquinoline-7-carboxamide |
| Molecular Weight: | 498.6 |
| Molecular Formula: | C30 H31 F N4 O2 |
| Smiles: | CC(C)Oc1ccc(CNC(c2ccc3ccnc(c3c2)N2CCN(CC2)c2ccc(cc2)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.747 |
| logD: | 5.7334 |
| logSw: | -5.7548 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.876 |
| InChI Key: | HWHCOXIQVSDMGE-UHFFFAOYSA-N |