N-[(4-ethylphenyl)methyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-7-carboxamide
Chemical Structure Depiction of
N-[(4-ethylphenyl)methyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-7-carboxamide
N-[(4-ethylphenyl)methyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-7-carboxamide
Compound characteristics
| Compound ID: | L162-0125 |
| Compound Name: | N-[(4-ethylphenyl)methyl]-1-[4-(4-methoxyphenyl)piperazin-1-yl]isoquinoline-7-carboxamide |
| Molecular Weight: | 480.61 |
| Molecular Formula: | C30 H32 N4 O2 |
| Smiles: | CCc1ccc(CNC(c2ccc3ccnc(c3c2)N2CCN(CC2)c2ccc(cc2)OC)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.9645 |
| logD: | 5.9509 |
| logSw: | -5.7461 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.618 |
| InChI Key: | AFDYPPNNTJZGRZ-UHFFFAOYSA-N |