10-bromo-6-(2-ethoxyphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
10-bromo-6-(2-ethoxyphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
10-bromo-6-(2-ethoxyphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-3631 |
| Compound Name: | 10-bromo-6-(2-ethoxyphenyl)-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 445.34 |
| Molecular Formula: | C19 H17 Br N4 O2 S |
| Smiles: | CCOc1ccccc1C1Nc2ccc(cc2c2c(nc(nn2)SC)O1)[Br] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.076 |
| logD: | 5.076 |
| logSw: | -4.7816 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.508 |
| InChI Key: | BJBRWQXOFYGZEV-QGZVFWFLSA-N |