1-[6-(2,3-difluorophenyl)-10-ethyl-3-[(3-methylbutyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(2,3-difluorophenyl)-10-ethyl-3-[(3-methylbutyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(2,3-difluorophenyl)-10-ethyl-3-[(3-methylbutyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-4249 |
| Compound Name: | 1-[6-(2,3-difluorophenyl)-10-ethyl-3-[(3-methylbutyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 484.57 |
| Molecular Formula: | C25 H26 F2 N4 O2 S |
| Smiles: | CCc1ccc2c(c1)c1c(nc(nn1)SCCC(C)C)OC(c1cccc(c1F)F)N2C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0029 |
| logD: | 6.0029 |
| logSw: | -5.5232 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.639 |
| InChI Key: | BETZZQYZNRQTBP-DEOSSOPVSA-N |