N-(1,3-benzothiazol-2-yl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Chemical Structure Depiction of
N-(1,3-benzothiazol-2-yl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
N-(1,3-benzothiazol-2-yl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide
Compound characteristics
| Compound ID: | C265-0475 |
| Compound Name: | N-(1,3-benzothiazol-2-yl)-2-{4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-1-oxoisoquinolin-2(1H)-yl}acetamide |
| Molecular Weight: | 577.66 |
| Molecular Formula: | C28 H24 F N5 O4 S2 |
| Smiles: | C1CN(CCN1c1ccccc1F)S(C1=CN(CC(Nc2nc3ccccc3s2)=O)C(c2ccccc12)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1457 |
| logD: | 4.1457 |
| logSw: | -4.3209 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.781 |
| InChI Key: | LZYNBUPHRPCNOQ-UHFFFAOYSA-N |