1-[6-(2,3-difluorophenyl)-10-fluoro-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Chemical Structure Depiction of
1-[6-(2,3-difluorophenyl)-10-fluoro-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
1-[6-(2,3-difluorophenyl)-10-fluoro-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Compound characteristics
| Compound ID: | F579-3663 |
| Compound Name: | 1-[6-(2,3-difluorophenyl)-10-fluoro-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one |
| Molecular Weight: | 446.45 |
| Molecular Formula: | C21 H17 F3 N4 O2 S |
| Smiles: | CCCC(N1C(c2cccc(c2F)F)Oc2c(c3cc(ccc13)F)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9679 |
| logD: | 4.9679 |
| logSw: | -4.7515 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.644 |
| InChI Key: | AIUJBEHSJYEDDU-FQEVSTJZSA-N |