4-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Chemical Structure Depiction of
4-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
4-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol
Compound characteristics
Compound ID: | 6469-0030 |
Compound Name: | 4-[10-bromo-3-(methylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol |
Molecular Weight: | 417.28 |
Molecular Formula: | C17 H13 Br N4 O2 S |
Smiles: | CSc1nc2c(c3cc(ccc3NC(c3ccc(cc3)O)O2)[Br])nn1 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.9444 |
logD: | 3.9421 |
logSw: | -4.0754 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 69.914 |
InChI Key: | MSHYVTMDMWPUDI-OAHLLOKOSA-N |