N-(3,4-dimethylphenyl)-N-ethyl-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-N-ethyl-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
N-(3,4-dimethylphenyl)-N-ethyl-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | C265-0627 |
| Compound Name: | N-(3,4-dimethylphenyl)-N-ethyl-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide |
| Molecular Weight: | 576.69 |
| Molecular Formula: | C31 H33 F N4 O4 S |
| Smiles: | CCN(C(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O)c1ccc(C)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 4.579 |
| logD: | 4.579 |
| logSw: | -4.358 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.962 |
| InChI Key: | WVUFILCLMSPQET-UHFFFAOYSA-N |