2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-[(2-methoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-[(2-methoxyphenyl)methyl]acetamide
2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-[(2-methoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | C265-0515 |
| Compound Name: | 2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}-N-[(2-methoxyphenyl)methyl]acetamide |
| Molecular Weight: | 564.64 |
| Molecular Formula: | C29 H29 F N4 O5 S |
| Smiles: | COc1ccccc1CNC(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1751 |
| logD: | 3.1751 |
| logSw: | -3.7596 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.973 |
| InChI Key: | ZXMUIYWYNARVJQ-UHFFFAOYSA-N |