1-[6-(2,4-dimethoxyphenyl)-10-ethyl-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-(2,4-dimethoxyphenyl)-10-ethyl-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(2,4-dimethoxyphenyl)-10-ethyl-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-3150 |
| Compound Name: | 1-[6-(2,4-dimethoxyphenyl)-10-ethyl-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 494.61 |
| Molecular Formula: | C26 H30 N4 O4 S |
| Smiles: | CCc1ccc2c(c1)c1c(nc(nn1)SCC(C)C)OC(c1ccc(cc1OC)OC)N2C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4725 |
| logD: | 5.4725 |
| logSw: | -5.437 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.813 |
| InChI Key: | FNDCCERZGPBQFX-VWLOTQADSA-N |