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 |