2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-(3-methoxypropyl)acetamide
Chemical Structure Depiction of
2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-(3-methoxypropyl)acetamide
2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-(3-methoxypropyl)acetamide
Compound characteristics
| Compound ID: | C265-0533 |
| Compound Name: | 2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-(3-methoxypropyl)acetamide |
| Molecular Weight: | 516.59 |
| Molecular Formula: | C25 H29 F N4 O5 S |
| Smiles: | COCCCNC(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4873 |
| logD: | 1.4873 |
| logSw: | -2.6144 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.798 |
| InChI Key: | TYRKAFTZPZQTNC-UHFFFAOYSA-N |