N-(5-chloro-2,4-dimethoxyphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | C265-0499 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide |
| Molecular Weight: | 615.08 |
| Molecular Formula: | C29 H28 Cl F N4 O6 S |
| Smiles: | COc1cc(c(cc1NC(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 3.6749 |
| logD: | 3.6693 |
| logSw: | -4.1247 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.583 |
| InChI Key: | CHTBQFIPEPVNSN-UHFFFAOYSA-N |