4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]isoquinolin-1(2H)-one
4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C265-0522 |
| Compound Name: | 4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-2-[2-(3-methylpiperidin-1-yl)-2-oxoethyl]isoquinolin-1(2H)-one |
| Molecular Weight: | 526.63 |
| Molecular Formula: | C27 H31 F N4 O4 S |
| Smiles: | CC1CCCN(C1)C(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6925 |
| logD: | 2.6925 |
| logSw: | -3.4305 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.197 |
| InChI Key: | HKRUEXKIIXQINP-FQEVSTJZSA-N |