1-[6-(2-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-(2-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-(2-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: | F579-2417 |
| Compound Name: | 1-[6-(2-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: | CCOc1ccccc1C1N(C(C)=O)c2c(C)cc(C)cc2c2c(nc(nn2)SCC(C)C)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.1278 |
| logD: | 6.1278 |
| logSw: | -5.437 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.007 |
| InChI Key: | ALBWKGLAXBREIH-VWLOTQADSA-N |