methyl 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]isoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]isoquinoline-4-carboxylate
methyl 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]isoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G780-0147 |
| Compound Name: | methyl 1-[4-(2,3-dimethylphenyl)piperazin-1-yl]isoquinoline-4-carboxylate |
| Molecular Weight: | 375.47 |
| Molecular Formula: | C23 H25 N3 O2 |
| Smiles: | Cc1cccc(c1C)N1CCN(CC1)c1c2ccccc2c(cn1)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 5.4761 |
| logD: | 5.476 |
| logSw: | -5.6352 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.623 |
| InChI Key: | CMXBWAHGXXUXKG-UHFFFAOYSA-N |