1-[6-(2-bromo-5-ethoxyphenyl)-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-bromo-5-ethoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(2-bromo-5-ethoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 4896-4147 |
| Compound Name: | 1-[6-(2-bromo-5-ethoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 501.4 |
| Molecular Formula: | C22 H21 Br N4 O3 S |
| Smiles: | CCOc1ccc(c(c1)C1N(C(C)=O)c2ccccc2c2c(nc(nn2)SCC)O1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7292 |
| logD: | 4.7292 |
| logSw: | -4.6397 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.763 |
| InChI Key: | QNECVCAWGMXSNH-NRFANRHFSA-N |