1-[3-(ethylsulfanyl)-6-[2-(trifluoromethyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(ethylsulfanyl)-6-[2-(trifluoromethyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[3-(ethylsulfanyl)-6-[2-(trifluoromethyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-0320 |
| Compound Name: | 1-[3-(ethylsulfanyl)-6-[2-(trifluoromethyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 446.45 |
| Molecular Formula: | C21 H17 F3 N4 O2 S |
| Smiles: | [H]c1ccc2c(c1)c1c(nc(nn1)SCC)OC(c1ccccc1C(F)(F)F)N2C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4099 |
| logD: | 4.4099 |
| logSw: | -4.475 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.639 |
| InChI Key: | ZQMPHPHWMCDYJQ-IBGZPJMESA-N |