4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-0035 |
| Compound Name: | 4-[4-(2-fluorophenyl)piperazine-1-carbonyl]-2-methyl-3-(thiophen-2-yl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 449.55 |
| Molecular Formula: | C25 H24 F N3 O2 S |
| Smiles: | CN1C(C(C(N2CCN(CC2)c2ccccc2F)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.3877 |
| logD: | 3.3877 |
| logSw: | -3.8791 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.314 |
| InChI Key: | WYKBLXBKUDJMTC-UHFFFAOYSA-N |