N-(3-chlorophenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
N-(3-chlorophenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | C066-2166 |
| Compound Name: | N-(3-chlorophenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide |
| Molecular Weight: | 555.03 |
| Molecular Formula: | C27 H24 Cl F N4 O4 S |
| Smiles: | C1CN(CCN1c1ccccc1F)S(C1=CN(CC(Nc2cccc(c2)[Cl])=O)C(c2ccccc12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1296 |
| logD: | 4.1295 |
| logSw: | -4.447 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.02 |
| InChI Key: | MAAZQWPTGNYINQ-UHFFFAOYSA-N |