4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-2-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-2-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}isoquinolin-1(2H)-one
4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-2-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C265-0518 |
| Compound Name: | 4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]-2-{2-[4-(4-nitrophenyl)piperazin-1-yl]-2-oxoethyl}isoquinolin-1(2H)-one |
| Molecular Weight: | 634.69 |
| Molecular Formula: | C31 H31 F N6 O6 S |
| Smiles: | C1CN(CCN1C(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O)c1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.0082 |
| logD: | 3.0082 |
| logSw: | -3.8018 |
| Hydrogen bond acceptors count: | 13 |
| Polar surface area: | 103.905 |
| InChI Key: | OTRXGJSCUFBXQS-UHFFFAOYSA-N |