N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1542 |
| Compound Name: | N-{3-[4-(4-fluorophenyl)piperazin-1-yl]propyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 514.6 |
| Molecular Formula: | C30 H31 F N4 O3 |
| Smiles: | COc1ccc(cc1)N1C=C(C(NCCCN2CCN(CC2)c2ccc(cc2)F)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.1705 |
| logD: | 2.6266 |
| logSw: | -3.6314 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.796 |
| InChI Key: | XAHOKXNVQKGVCH-UHFFFAOYSA-N |