N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | C265-0502 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide |
| Molecular Weight: | 578.62 |
| Molecular Formula: | C29 H27 F N4 O6 S |
| Smiles: | C1CN(CCN1c1ccccc1F)S(C1=CN(CC(Nc2ccc3c(c2)OCCO3)=O)C(c2ccccc12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3486 |
| logD: | 2.3486 |
| logSw: | -3.2225 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.843 |
| InChI Key: | FYDDVYIUXCADNC-UHFFFAOYSA-N |