2-(2-methoxyethyl)-3-phenyl-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
2-(2-methoxyethyl)-3-phenyl-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroisoquinolin-1(2H)-one
2-(2-methoxyethyl)-3-phenyl-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | V008-8199 |
| Compound Name: | 2-(2-methoxyethyl)-3-phenyl-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 537.58 |
| Molecular Formula: | C30 H30 F3 N3 O3 |
| Salt: | not_available |
| Smiles: | COCCN1C(C(C(N2CCN(CC2)c2cccc(c2)C(F)(F)F)=O)c2ccccc2C1=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.6667 |
| logD: | 4.6667 |
| logSw: | -4.5225 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 44.152 |
| InChI Key: | BKKFLDMRFVVHEW-UHFFFAOYSA-N |