1-[6-(2-ethoxyphenyl)-10-methyl-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(2-ethoxyphenyl)-10-methyl-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(2-ethoxyphenyl)-10-methyl-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-1665 |
| Compound Name: | 1-[6-(2-ethoxyphenyl)-10-methyl-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 464.59 |
| Molecular Formula: | C25 H28 N4 O3 S |
| Smiles: | CCOc1ccccc1C1N(C(C)=O)c2ccc(C)cc2c2c(nc(nn2)SCC(C)C)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3868 |
| logD: | 5.3868 |
| logSw: | -5.3838 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.849 |
| InChI Key: | APSUNKPANFMPCE-DEOSSOPVSA-N |