1-[3-(butylsulfanyl)-6-(2,3-difluorophenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(butylsulfanyl)-6-(2,3-difluorophenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[3-(butylsulfanyl)-6-(2,3-difluorophenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
Compound ID: | F579-0153 |
Compound Name: | 1-[3-(butylsulfanyl)-6-(2,3-difluorophenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
Molecular Weight: | 442.49 |
Molecular Formula: | C22 H20 F2 N4 O2 S |
Smiles: | [H]c1ccc2c(c1)c1c(nc(nn1)SCCCC)OC(c1cccc(c1F)F)N2C(C)=O |
Stereo: | RACEMIC MIXTURE |
logP: | 4.9131 |
logD: | 4.9131 |
logSw: | -4.7861 |
Hydrogen bond acceptors count: | 7 |
Polar surface area: | 54.639 |
InChI Key: | YCCNWOILCGYFIN-NRFANRHFSA-N |