2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-(2-methoxy-5-nitrophenyl)acetamide
Chemical Structure Depiction of
2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-(2-methoxy-5-nitrophenyl)acetamide
2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-(2-methoxy-5-nitrophenyl)acetamide
Compound characteristics
| Compound ID: | C265-0552 |
| Compound Name: | 2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-(2-methoxy-5-nitrophenyl)acetamide |
| Molecular Weight: | 595.61 |
| Molecular Formula: | C28 H26 F N5 O7 S |
| Smiles: | COc1ccc(cc1NC(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9676 |
| logD: | 2.9532 |
| logSw: | -3.6626 |
| Hydrogen bond acceptors count: | 14 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 114.334 |
| InChI Key: | ZJPHARZPMLZIIM-UHFFFAOYSA-N |