2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]isoquinolin-1(2H)-one
2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C265-0556 |
| Compound Name: | 2-[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl]-4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]isoquinolin-1(2H)-one |
| Molecular Weight: | 540.66 |
| Molecular Formula: | C28 H33 F N4 O4 S |
| Smiles: | CC1CC(C)CN(C1)C(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.241 |
| logD: | 3.241 |
| logSw: | -3.8548 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.13 |
| InChI Key: | LJPZJMZZNZQSEJ-UHFFFAOYSA-N |