6-(2H-1,3-benzodioxol-5-yl)-10-bromo-3-(hexylsulfanyl)-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-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
6-(2H-1,3-benzodioxol-5-yl)-10-bromo-3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 4896-4732 |
| Compound Name: | 6-(2H-1,3-benzodioxol-5-yl)-10-bromo-3-(hexylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 515.43 |
| Molecular Formula: | C23 H23 Br N4 O3 S |
| Smiles: | CCCCCCSc1nc2c(c3cc(ccc3NC(c3ccc4c(c3)OCO4)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.0887 |
| logD: | 7.0887 |
| logSw: | -5.8006 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.413 |
| InChI Key: | JGENRETWMHRDTH-OAQYLSRUSA-N |