6-{3-bromo-5-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-{3-bromo-5-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-{3-bromo-5-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3392 |
| Compound Name: | 6-{3-bromo-5-ethoxy-4-[(prop-2-en-1-yl)oxy]phenyl}-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 501.4 |
| Molecular Formula: | C22 H21 Br N4 O3 S |
| Smiles: | CCOc1cc(cc(c1OCC=C)[Br])C1Nc2ccccc2c2c(nc(nn2)SC)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0115 |
| logD: | 5.0115 |
| logSw: | -4.6706 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.099 |
| InChI Key: | FADQTHVTIZTFIY-FQEVSTJZSA-N |