[1-(2-methoxyanilino)isoquinolin-4-yl]{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}methanone
Chemical Structure Depiction of
[1-(2-methoxyanilino)isoquinolin-4-yl]{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}methanone
[1-(2-methoxyanilino)isoquinolin-4-yl]{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}methanone
Compound characteristics
| Compound ID: | C138-0800 |
| Compound Name: | [1-(2-methoxyanilino)isoquinolin-4-yl]{4-[(2,3,4-trimethoxyphenyl)methyl]piperazin-1-yl}methanone |
| Molecular Weight: | 542.64 |
| Molecular Formula: | C31 H34 N4 O5 |
| Smiles: | COc1ccccc1Nc1c2ccccc2c(cn1)C(N1CCN(CC1)Cc1ccc(c(c1OC)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4029 |
| logD: | 4.0314 |
| logSw: | -4.123 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.842 |
| InChI Key: | BRWRINOIVLGINF-UHFFFAOYSA-N |