N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
Chemical Structure Depiction of
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
Compound characteristics
| Compound ID: | L162-0708 |
| Compound Name: | N-[(4-ethoxy-3-methoxyphenyl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide |
| Molecular Weight: | 496.61 |
| Molecular Formula: | C30 H32 N4 O3 |
| Smiles: | CCOc1ccc(CNC(c2ccc3ccnc(c3c2)N2CCN(CC2)c2ccccc2)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.8904 |
| logD: | 4.8768 |
| logSw: | -4.7613 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.915 |
| InChI Key: | HLMOZSWVWPYDBJ-UHFFFAOYSA-N |