1-[6-(2,5-dimethoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(2,5-dimethoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(2,5-dimethoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-0317 |
| Compound Name: | 1-[6-(2,5-dimethoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | [H]c1ccc2c(c1)c1c(nc(nn1)SCC)OC(c1cc(ccc1OC)OC)N2C(C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7369 |
| logD: | 3.7369 |
| logSw: | -4.0352 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.813 |
| InChI Key: | NDQNDHAFUWLUSV-NRFANRHFSA-N |