2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-methyl-N-(3-methylphenyl)acetamide
Chemical Structure Depiction of
2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-methyl-N-(3-methylphenyl)acetamide
2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-methyl-N-(3-methylphenyl)acetamide
Compound characteristics
| Compound ID: | C265-0628 |
| Compound Name: | 2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-methyl-N-(3-methylphenyl)acetamide |
| Molecular Weight: | 548.64 |
| Molecular Formula: | C29 H29 F N4 O4 S |
| Smiles: | Cc1cccc(c1)N(C)C(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4056 |
| logD: | 3.4056 |
| logSw: | -3.9495 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 65.984 |
| InChI Key: | QDCYPGCONFQQFK-UHFFFAOYSA-N |