N-[(2,4-dimethoxyphenyl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
Chemical Structure Depiction of
N-[(2,4-dimethoxyphenyl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
N-[(2,4-dimethoxyphenyl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
Compound characteristics
| Compound ID: | L162-0710 |
| Compound Name: | N-[(2,4-dimethoxyphenyl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide |
| Molecular Weight: | 482.58 |
| Molecular Formula: | C29 H30 N4 O3 |
| Smiles: | COc1ccc(CNC(c2ccc3ccnc(c3c2)N2CCN(CC2)c2ccccc2)=O)c(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.1495 |
| logD: | 5.1359 |
| logSw: | -5.2777 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.248 |
| InChI Key: | HJUUDMFVJCIYHH-UHFFFAOYSA-N |