1-[6-(2-ethoxyphenyl)-3-(ethylsulfanyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(2-ethoxyphenyl)-3-(ethylsulfanyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(2-ethoxyphenyl)-3-(ethylsulfanyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-2241 |
| Compound Name: | 1-[6-(2-ethoxyphenyl)-3-(ethylsulfanyl)-8,10-dimethyl[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 450.56 |
| Molecular Formula: | C24 H26 N4 O3 S |
| Smiles: | CCOc1ccccc1C1N(C(C)=O)c2c(C)cc(C)cc2c2c(nc(nn2)SCC)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.3324 |
| logD: | 5.3324 |
| logSw: | -5.2584 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.007 |
| InChI Key: | QFFFUXZWDNEHMG-QHCPKHFHSA-N |