N-(3,4-dimethylphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-methylacetamide
Chemical Structure Depiction of
N-(3,4-dimethylphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-methylacetamide
N-(3,4-dimethylphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-methylacetamide
Compound characteristics
| Compound ID: | C265-0615 |
| Compound Name: | N-(3,4-dimethylphenyl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-methylacetamide |
| Molecular Weight: | 562.66 |
| Molecular Formula: | C30 H31 F N4 O4 S |
| Smiles: | Cc1ccc(cc1C)N(C)C(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0397 |
| logD: | 4.0397 |
| logSw: | -4.1768 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.984 |
| InChI Key: | XHZIPYCAEZCNDO-UHFFFAOYSA-N |