N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | F989-0528 |
| Compound Name: | N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[1-(propan-2-yl)[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]sulfanyl}acetamide |
| Molecular Weight: | 479.91 |
| Molecular Formula: | C21 H17 Cl F3 N5 O S |
| Smiles: | CC(C)c1nnc2c(nc3ccccc3n12)SCC(Nc1ccc(c(c1)C(F)(F)F)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.6285 |
| logD: | 5.5964 |
| logSw: | -5.8917 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.93 |
| InChI Key: | OXQKSZBUTGJZEP-UHFFFAOYSA-N |