2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-[(5-methylfuran-2-yl)methyl]acetamide
Chemical Structure Depiction of
2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-[(5-methylfuran-2-yl)methyl]acetamide
2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-[(5-methylfuran-2-yl)methyl]acetamide
Compound characteristics
| Compound ID: | C265-0635 |
| Compound Name: | 2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-[(5-methylfuran-2-yl)methyl]acetamide |
| Molecular Weight: | 538.6 |
| Molecular Formula: | C27 H27 F N4 O5 S |
| Smiles: | Cc1ccc(CNC(CN2C=C(c3ccccc3C2=O)S(N2CCN(CC2)c2ccccc2F)(=O)=O)=O)o1 |
| Stereo: | ACHIRAL |
| logP: | 3.0113 |
| logD: | 3.0113 |
| logSw: | -3.721 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.605 |
| InChI Key: | AWSVRDJCJQUPRZ-UHFFFAOYSA-N |