1-[6-(2,5-difluorophenyl)-8,10-dimethyl-3-[(2-methylpropyl)sulfanyl][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)-8,10-dimethyl-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
1-[6-(2,5-difluorophenyl)-8,10-dimethyl-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Compound characteristics
| Compound ID: | F579-1946 |
| Compound Name: | 1-[6-(2,5-difluorophenyl)-8,10-dimethyl-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one |
| Molecular Weight: | 484.57 |
| Molecular Formula: | C25 H26 F2 N4 O2 S |
| Smiles: | CCC(N1C(c2cc(ccc2F)F)Oc2c(c3cc(C)cc(C)c13)nnc(n2)SCC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.4779 |
| logD: | 6.4779 |
| logSw: | -5.6456 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.801 |
| InChI Key: | YEHJNOWYCBBNIB-DEOSSOPVSA-N |