6-(2H-1,3-benzodioxol-5-yl)-10-bromo-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
6-(2H-1,3-benzodioxol-5-yl)-10-bromo-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(2H-1,3-benzodioxol-5-yl)-10-bromo-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
Compound ID: | 4896-4205 |
Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-10-bromo-3-(propylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
Molecular Weight: | 473.35 |
Molecular Formula: | C20 H17 Br N4 O3 S |
Smiles: | CCCSc1nc2c(c3cc(ccc3NC(c3ccc4c(c3)OCO4)O2)[Br])nn1 |
Stereo: | RACEMIC MIXTURE |
logP: | 5.228 |
logD: | 5.228 |
logSw: | -5.1995 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.413 |
InChI Key: | AFAAHEORNKNWBK-GOSISDBHSA-N |