4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methoxyphenyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methoxyphenyl)isoquinolin-1(2H)-one
4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methoxyphenyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-1597 |
| Compound Name: | 4-[4-(2,4-dimethylphenyl)piperazine-1-carbonyl]-2-(4-methoxyphenyl)isoquinolin-1(2H)-one |
| Molecular Weight: | 467.57 |
| Molecular Formula: | C29 H29 N3 O3 |
| Smiles: | Cc1ccc(c(C)c1)N1CCN(CC1)C(C1=CN(C(c2ccccc12)=O)c1ccc(cc1)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7079 |
| logD: | 4.7077 |
| logSw: | -4.5089 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 42.906 |
| InChI Key: | BMULSCIXSFAXLH-UHFFFAOYSA-N |