2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-(4-phenoxyphenyl)acetamide
Chemical Structure Depiction of
2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-(4-phenoxyphenyl)acetamide
2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-(4-phenoxyphenyl)acetamide
Compound characteristics
| Compound ID: | C265-0487 |
| Compound Name: | 2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-(4-phenoxyphenyl)acetamide |
| Molecular Weight: | 612.68 |
| Molecular Formula: | C33 H29 F N4 O5 S |
| Smiles: | C1CN(CCN1c1ccccc1F)S(C1=CN(CC(Nc2ccc(cc2)Oc2ccccc2)=O)C(c2ccccc12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0662 |
| logD: | 5.0662 |
| logSw: | -4.7768 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.768 |
| InChI Key: | OGJYDYCOKPCLDY-UHFFFAOYSA-N |