2,7,7-trimethyl-3-(piperidine-1-carbonyl)-4-[4-(trifluoromethoxy)phenyl]-4,6,7,8-tetrahydroquinolin-5(1H)-one
Chemical Structure Depiction of
2,7,7-trimethyl-3-(piperidine-1-carbonyl)-4-[4-(trifluoromethoxy)phenyl]-4,6,7,8-tetrahydroquinolin-5(1H)-one
2,7,7-trimethyl-3-(piperidine-1-carbonyl)-4-[4-(trifluoromethoxy)phenyl]-4,6,7,8-tetrahydroquinolin-5(1H)-one
Compound characteristics
| Compound ID: | K836-0235 |
| Compound Name: | 2,7,7-trimethyl-3-(piperidine-1-carbonyl)-4-[4-(trifluoromethoxy)phenyl]-4,6,7,8-tetrahydroquinolin-5(1H)-one |
| Molecular Weight: | 462.51 |
| Molecular Formula: | C25 H29 F3 N2 O3 |
| Smiles: | CC1=C(C(C2=C(CC(C)(C)CC2=O)N1)c1ccc(cc1)OC(F)(F)F)C(N1CCCCC1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9763 |
| logD: | 1.4688 |
| logSw: | -4.622 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.506 |
| InChI Key: | LBBZDLVMHILUDD-NRFANRHFSA-N |