N-(3-chlorophenyl)-N-ethyl-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-N-ethyl-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
N-(3-chlorophenyl)-N-ethyl-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | C265-0603 |
| Compound Name: | N-(3-chlorophenyl)-N-ethyl-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide |
| Molecular Weight: | 583.08 |
| Molecular Formula: | C29 H28 Cl F N4 O4 S |
| Smiles: | CCN(C(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.086 |
| logD: | 4.086 |
| logSw: | -4.3995 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.962 |
| InChI Key: | OHEAZIDPJWPCQH-UHFFFAOYSA-N |