N-(butan-2-yl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-(butan-2-yl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
N-(butan-2-yl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | C265-0503 |
| Compound Name: | N-(butan-2-yl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide |
| Molecular Weight: | 500.59 |
| Molecular Formula: | C25 H29 F N4 O4 S |
| Smiles: | CCC(C)NC(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4264 |
| logD: | 2.4264 |
| logSw: | -3.0338 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.055 |
| InChI Key: | WSMWDFKMSPTCSE-SFHVURJKSA-N |