4-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-diethylaniline
Chemical Structure Depiction of
4-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-diethylaniline
4-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-diethylaniline
Compound characteristics
Compound ID: | 4896-2759 |
Compound Name: | 4-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N,N-diethylaniline |
Molecular Weight: | 472.41 |
Molecular Formula: | C21 H22 Br N5 O S |
Smiles: | CCN(CC)c1ccc(cc1)C1Nc2ccc(cc2c2c(nc(nn2)SC)O1)[Br] |
Stereo: | RACEMIC MIXTURE |
logP: | 5.3747 |
logD: | 5.1807 |
logSw: | -5.5557 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 55.034 |
InChI Key: | GGXLXWMVJWOMBF-LJQANCHMSA-N |