2-bromo-4-{3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenol
Chemical Structure Depiction of
2-bromo-4-{3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenol
2-bromo-4-{3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenol
Compound characteristics
| Compound ID: | 4896-3316 |
| Compound Name: | 2-bromo-4-{3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenol |
| Molecular Weight: | 443.32 |
| Molecular Formula: | C19 H15 Br N4 O2 S |
| Smiles: | C=CCSc1nc2c(c3ccccc3NC(c3ccc(c(c3)[Br])O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3992 |
| logD: | 4.3609 |
| logSw: | -4.0521 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.845 |
| InChI Key: | SUSCLTWGEXKWEZ-KRWDZBQOSA-N |