N-(3-chlorophenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-propylacetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-propylacetamide
N-(3-chlorophenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-propylacetamide
Compound characteristics
| Compound ID: | C265-0608 |
| Compound Name: | N-(3-chlorophenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-propylacetamide |
| Molecular Weight: | 597.11 |
| Molecular Formula: | C30 H30 Cl F N4 O4 S |
| Smiles: | CCCN(C(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.5753 |
| logD: | 4.5753 |
| logSw: | -4.6285 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 66.216 |
| InChI Key: | ZQQCAEYNYDFSAX-UHFFFAOYSA-N |