5-[10-bromo-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenol
Chemical Structure Depiction of
5-[10-bromo-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenol
5-[10-bromo-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenol
Compound characteristics
Compound ID: | 4896-4334 |
Compound Name: | 5-[10-bromo-3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxyphenol |
Molecular Weight: | 489.39 |
Molecular Formula: | C21 H21 Br N4 O3 S |
Smiles: | CCCCSc1nc2c(c3cc(ccc3NC(c3ccc(c(c3)O)OC)O2)[Br])nn1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.3598 |
logD: | 5.3281 |
logSw: | -5.1517 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 76.476 |
InChI Key: | YYIMPNUIGNZACP-LJQANCHMSA-N |