N-[(4-ethoxyphenyl)methyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide
Chemical Structure Depiction of
N-[(4-ethoxyphenyl)methyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide
N-[(4-ethoxyphenyl)methyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide
Compound characteristics
| Compound ID: | L162-0379 |
| Compound Name: | N-[(4-ethoxyphenyl)methyl]-1-[4-(4-fluorophenyl)piperazin-1-yl]isoquinoline-7-carboxamide |
| Molecular Weight: | 484.57 |
| Molecular Formula: | C29 H29 F N4 O2 |
| Smiles: | CCOc1ccc(CNC(c2ccc3ccnc(c3c2)N2CCN(CC2)c2ccc(cc2)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.4494 |
| logD: | 5.4359 |
| logSw: | -5.646 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.197 |
| InChI Key: | HETQVSVVHQISBK-UHFFFAOYSA-N |