1-[6-(4-ethoxyphenyl)-8,10-dimethyl-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-(4-ethoxyphenyl)-8,10-dimethyl-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(4-ethoxyphenyl)-8,10-dimethyl-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-2445 |
| Compound Name: | 1-[6-(4-ethoxyphenyl)-8,10-dimethyl-3-[(2-methylpropyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 478.61 |
| Molecular Formula: | C26 H30 N4 O3 S |
| Smiles: | CCOc1ccc(cc1)C1N(C(C)=O)c2c(C)cc(C)cc2c2c(nc(nn2)SCC(C)C)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9849 |
| logD: | 5.9849 |
| logSw: | -5.5288 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.92 |
| InChI Key: | FSSFOGAFBQWXTA-VWLOTQADSA-N |