methyl 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]isoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]isoquinoline-4-carboxylate
methyl 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]isoquinoline-4-carboxylate
Compound characteristics
Compound ID: | G780-0142 |
Compound Name: | methyl 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]isoquinoline-4-carboxylate |
Molecular Weight: | 395.89 |
Molecular Formula: | C22 H22 Cl N3 O2 |
Smiles: | Cc1ccc(cc1N1CCN(CC1)c1c2ccccc2c(cn1)C(=O)OC)[Cl] |
Stereo: | ACHIRAL |
logP: | 5.6351 |
logD: | 5.635 |
logSw: | -5.9147 |
Hydrogen bond acceptors count: | 4 |
Polar surface area: | 36.623 |
InChI Key: | WNFZARQCYIJLNM-UHFFFAOYSA-N |