N-[(4-methoxyphenyl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
N-[(4-methoxyphenyl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide
Compound characteristics
| Compound ID: | L162-0584 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-1-(4-phenylpiperazin-1-yl)isoquinoline-7-carboxamide |
| Molecular Weight: | 452.56 |
| Molecular Formula: | C28 H28 N4 O2 |
| Smiles: | COc1ccc(CNC(c2ccc3ccnc(c3c2)N2CCN(CC2)c2ccccc2)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.9122 |
| logD: | 4.8987 |
| logSw: | -4.8391 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.618 |
| InChI Key: | WHJYKBWDASWQQQ-UHFFFAOYSA-N |