2-methyl-3-(thiophen-2-yl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
2-methyl-3-(thiophen-2-yl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroisoquinolin-1(2H)-one
2-methyl-3-(thiophen-2-yl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-0152 |
| Compound Name: | 2-methyl-3-(thiophen-2-yl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 499.55 |
| Molecular Formula: | C26 H24 F3 N3 O2 S |
| Smiles: | CN1C(C(C(N2CCN(CC2)c2cccc(c2)C(F)(F)F)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.0099 |
| logD: | 4.0099 |
| logSw: | -4.2618 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.615 |
| InChI Key: | QJJIYOLCTHHQER-UHFFFAOYSA-N |