6-(5-bromo-2,3-dimethoxyphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(5-bromo-2,3-dimethoxyphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(5-bromo-2,3-dimethoxyphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-2907 |
| Compound Name: | 6-(5-bromo-2,3-dimethoxyphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 461.34 |
| Molecular Formula: | C19 H17 Br N4 O3 S |
| Smiles: | COc1cc(cc(C2Nc3ccccc3c3c(nc(nn3)SC)O2)c1OC)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.416 |
| logD: | 4.416 |
| logSw: | -4.4564 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.645 |
| InChI Key: | JXUAQSOAFXLRCB-KRWDZBQOSA-N |