methyl 1-(4-benzylpiperazin-1-yl)isoquinoline-4-carboxylate
Chemical Structure Depiction of
methyl 1-(4-benzylpiperazin-1-yl)isoquinoline-4-carboxylate
methyl 1-(4-benzylpiperazin-1-yl)isoquinoline-4-carboxylate
Compound characteristics
| Compound ID: | G780-0066 |
| Compound Name: | methyl 1-(4-benzylpiperazin-1-yl)isoquinoline-4-carboxylate |
| Molecular Weight: | 361.44 |
| Molecular Formula: | C22 H23 N3 O2 |
| Smiles: | COC(c1cnc(c2ccccc12)N1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0335 |
| logD: | 3.9554 |
| logSw: | -4.0412 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.204 |
| InChI Key: | OMTIFSYXFJFSOT-UHFFFAOYSA-N |