4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-(2,4-difluorophenyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-(2,4-difluorophenyl)isoquinolin-1(2H)-one
4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-(2,4-difluorophenyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | K937-0568 |
| Compound Name: | 4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}-2-(2,4-difluorophenyl)isoquinolin-1(2H)-one |
| Molecular Weight: | 503.51 |
| Molecular Formula: | C28 H23 F2 N3 O4 |
| Smiles: | C1CN(CCN1Cc1ccc2c(c1)OCO2)C(C1=CN(C(c2ccccc12)=O)c1ccc(cc1F)F)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9049 |
| logD: | 2.5874 |
| logSw: | -3.5198 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.758 |
| InChI Key: | XBYUBJILBHFIAI-UHFFFAOYSA-N |