N-[(4-fluorophenyl)methyl]-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-[(4-fluorophenyl)methyl]-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
N-[(4-fluorophenyl)methyl]-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | C265-0527 |
| Compound Name: | N-[(4-fluorophenyl)methyl]-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide |
| Molecular Weight: | 552.6 |
| Molecular Formula: | C28 H26 F2 N4 O4 S |
| Smiles: | C(c1ccc(cc1)F)NC(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9829 |
| logD: | 2.9829 |
| logSw: | -3.744 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.342 |
| InChI Key: | VJQWRHINPYPNCQ-UHFFFAOYSA-N |