3-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
3-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1(2H)-one
3-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | C096-0788 |
| Compound Name: | 3-(4-fluorophenyl)-4-[4-(4-fluorophenyl)piperazine-1-carbonyl]-2-(2-methoxyethyl)-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 505.56 |
| Molecular Formula: | C29 H29 F2 N3 O3 |
| Smiles: | COCCN1C(C(C(N2CCN(CC2)c2ccc(cc2)F)=O)c2ccccc2C1=O)c1ccc(cc1)F |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0414 |
| logD: | 4.0414 |
| logSw: | -4.2321 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.152 |
| InChI Key: | WEYHSMXWWCDWBO-UHFFFAOYSA-N |