N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Chemical Structure Depiction of
N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide
Compound characteristics
| Compound ID: | E456-1665 |
| Compound Name: | N-{3-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]propyl}-2-(4-methoxyphenyl)-1-oxo-1,2-dihydroisoquinoline-4-carboxamide |
| Molecular Weight: | 545.08 |
| Molecular Formula: | C31 H33 Cl N4 O3 |
| Smiles: | Cc1ccc(cc1N1CCN(CCCNC(C2=CN(C(c3ccccc23)=O)c2ccc(cc2)OC)=O)CC1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3025 |
| logD: | 3.1559 |
| logSw: | -4.46 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.495 |
| InChI Key: | MAEALHDNDWYJTO-UHFFFAOYSA-N |