1-[10-chloro-6-(2,5-difluorophenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[10-chloro-6-(2,5-difluorophenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[10-chloro-6-(2,5-difluorophenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-4564 |
| Compound Name: | 1-[10-chloro-6-(2,5-difluorophenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 448.88 |
| Molecular Formula: | C20 H15 Cl F2 N4 O2 S |
| Smiles: | CCSc1nc2c(c3cc(ccc3N(C(c3cc(ccc3F)F)O2)C(C)=O)[Cl])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.659 |
| logD: | 4.659 |
| logSw: | -4.8029 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.639 |
| InChI Key: | MYKGLYPXXYLYET-LJQANCHMSA-N |