2-(2-methylpropyl)-3-(thiophen-2-yl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroisoquinolin-1(2H)-one
Chemical Structure Depiction of
2-(2-methylpropyl)-3-(thiophen-2-yl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroisoquinolin-1(2H)-one
2-(2-methylpropyl)-3-(thiophen-2-yl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroisoquinolin-1(2H)-one
Compound characteristics
| Compound ID: | E456-0832 |
| Compound Name: | 2-(2-methylpropyl)-3-(thiophen-2-yl)-4-{4-[3-(trifluoromethyl)phenyl]piperazine-1-carbonyl}-3,4-dihydroisoquinolin-1(2H)-one |
| Molecular Weight: | 541.64 |
| Molecular Formula: | C29 H30 F3 N3 O2 S |
| Smiles: | CC(C)CN1C(C(C(N2CCN(CC2)c2cccc(c2)C(F)(F)F)=O)c2ccccc2C1=O)c1cccs1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.5692 |
| logD: | 5.5692 |
| logSw: | -5.5924 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 36.85 |
| InChI Key: | BTTQZMVWSVUPHC-UHFFFAOYSA-N |