N-(5-chloropyridin-2-yl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-(5-chloropyridin-2-yl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
N-(5-chloropyridin-2-yl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | C265-0697 |
| Compound Name: | N-(5-chloropyridin-2-yl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide |
| Molecular Weight: | 556.01 |
| Molecular Formula: | C26 H23 Cl F N5 O4 S |
| Smiles: | C1CN(CCN1c1ccccc1F)S(C1=CN(CC(Nc2ccc(cn2)[Cl])=O)C(c2ccccc12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.676 |
| logD: | 3.6697 |
| logSw: | -4.3227 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.725 |
| InChI Key: | MFIHJGOLEYZAKH-UHFFFAOYSA-N |