2-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]isoquinolin-1(2H)-one
Chemical Structure Depiction of
2-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]isoquinolin-1(2H)-one
2-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C265-0516 |
| Compound Name: | 2-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-4-[4-(2-fluorophenyl)piperazine-1-sulfonyl]isoquinolin-1(2H)-one |
| Molecular Weight: | 624.13 |
| Molecular Formula: | C31 H31 Cl F N5 O4 S |
| Smiles: | C1CN(CCN1C(CN1C=C(c2ccccc2C1=O)S(N1CCN(CC1)c1ccccc1F)(=O)=O)=O)c1cccc(c1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.5447 |
| logD: | 3.5446 |
| logSw: | -3.9361 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 70.523 |
| InChI Key: | HKXMXZOKQPDMRB-UHFFFAOYSA-N |