N-(2,5-dimethoxyphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-(2,5-dimethoxyphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
N-(2,5-dimethoxyphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | C265-0546 |
| Compound Name: | N-(2,5-dimethoxyphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide |
| Molecular Weight: | 580.64 |
| Molecular Formula: | C29 H29 F N4 O6 S |
| Smiles: | COc1ccc(c(c1)NC(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0595 |
| logD: | 3.0592 |
| logSw: | -3.667 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.496 |
| InChI Key: | GTDCDAGKIRNKPT-UHFFFAOYSA-N |