N-{[4-(methylsulfanyl)phenyl]methyl}-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1(2H)-yl]propanamide
Chemical Structure Depiction of
N-{[4-(methylsulfanyl)phenyl]methyl}-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1(2H)-yl]propanamide
N-{[4-(methylsulfanyl)phenyl]methyl}-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1(2H)-yl]propanamide
Compound characteristics
| Compound ID: | F069-1167 |
| Compound Name: | N-{[4-(methylsulfanyl)phenyl]methyl}-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1(2H)-yl]propanamide |
| Molecular Weight: | 421.44 |
| Molecular Formula: | C20 H18 F3 N3 O2 S |
| Smiles: | [H]c1cc2c(cc1[H])N(C(C)C(NCc1ccc(cc1)SC)=O)C(C(C(F)(F)F)=N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9244 |
| logD: | 2.9244 |
| logSw: | -3.4232 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.475 |
| InChI Key: | WLGBTCQFSNMCRZ-LBPRGKRZSA-N |