2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-(3-methylbutyl)acetamide
Chemical Structure Depiction of
2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-(3-methylbutyl)acetamide
2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-(3-methylbutyl)acetamide
Compound characteristics
| Compound ID: | C265-0636 |
| Compound Name: | 2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-(3-methylbutyl)acetamide |
| Molecular Weight: | 514.62 |
| Molecular Formula: | C26 H31 F N4 O4 S |
| Smiles: | CC(C)CCNC(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8215 |
| logD: | 2.8215 |
| logSw: | -3.7612 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.455 |
| InChI Key: | JEHZWLZUYNPWBR-UHFFFAOYSA-N |