1-[6-(2,5-difluorophenyl)-3-(ethylsulfanyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Chemical Structure Depiction of
1-[6-(2,5-difluorophenyl)-3-(ethylsulfanyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
1-[6-(2,5-difluorophenyl)-3-(ethylsulfanyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Compound characteristics
| Compound ID: | F579-1793 |
| Compound Name: | 1-[6-(2,5-difluorophenyl)-3-(ethylsulfanyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one |
| Molecular Weight: | 456.51 |
| Molecular Formula: | C23 H22 F2 N4 O2 S |
| Smiles: | CCC(N1C(c2cc(ccc2F)F)Oc2c(c3cc(C)cc(C)c13)nnc(n2)SCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6825 |
| logD: | 5.6825 |
| logSw: | -5.3971 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.801 |
| InChI Key: | ZIPRAQPDHBKFGS-QFIPXVFZSA-N |