2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-(4-methylpiperidine-1-sulfonyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-(4-methylpiperidine-1-sulfonyl)isoquinolin-1(2H)-one
2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-(4-methylpiperidine-1-sulfonyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C265-0747 |
| Compound Name: | 2-{2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl}-4-(4-methylpiperidine-1-sulfonyl)isoquinolin-1(2H)-one |
| Molecular Weight: | 526.63 |
| Molecular Formula: | C27 H31 F N4 O4 S |
| Smiles: | CC1CCN(CC1)S(C1=CN(CC(N2CCN(CC2)c2ccccc2F)=O)C(c2ccccc12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7135 |
| logD: | 2.7135 |
| logSw: | -3.5776 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 67.263 |
| InChI Key: | FSRZSHGIPXVFNJ-UHFFFAOYSA-N |