N-(2,4-dimethoxyphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-methylacetamide
Chemical Structure Depiction of
N-(2,4-dimethoxyphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-methylacetamide
N-(2,4-dimethoxyphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-methylacetamide
Compound characteristics
| Compound ID: | C265-0606 |
| Compound Name: | N-(2,4-dimethoxyphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-methylacetamide |
| Molecular Weight: | 594.66 |
| Molecular Formula: | C30 H31 F N4 O6 S |
| Smiles: | CN(C(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O)c1ccc(cc1OC)OC |
| Stereo: | ACHIRAL |
| logP: | 3.105 |
| logD: | 3.105 |
| logSw: | -3.6731 |
| Hydrogen bond acceptors count: | 11 |
| Polar surface area: | 80.857 |
| InChI Key: | IFTJWNUOIQCCEQ-UHFFFAOYSA-N |