4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(3-methylbutyl)isoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(3-methylbutyl)isoquinolin-1(2H)-one
4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(3-methylbutyl)isoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | Y041-3764 |
| Compound Name: | 4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(3-methylbutyl)isoquinolin-1(2H)-one |
| Molecular Weight: | 421.51 |
| Molecular Formula: | C25 H28 F N3 O2 |
| Smiles: | CC(C)CCN1C=C(C(N2CCN(CC2)c2ccc(cc2)F)=O)c2ccccc2C1=O |
| Stereo: | ACHIRAL |
| logP: | 3.8931 |
| logD: | 3.8931 |
| logSw: | -3.9697 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.359 |
| InChI Key: | RMLGSMUNWQGGTR-UHFFFAOYSA-N |