methyl 1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxylate
methyl 1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G780-0077 |
| Compound Name: | methyl 1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-4-carboxylate |
| Molecular Weight: | 377.44 |
| Molecular Formula: | C22 H23 N3 O3 |
| Smiles: | COC(c1cnc(c2ccccc12)N1CCN(CC1)c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4564 |
| logD: | 4.4564 |
| logSw: | -4.2309 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.468 |
| InChI Key: | PAVAHWOBRSNSLE-UHFFFAOYSA-N |