4-{10-bromo-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}benzene-1,2-diol
Chemical Structure Depiction of
4-{10-bromo-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}benzene-1,2-diol
4-{10-bromo-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}benzene-1,2-diol
Compound characteristics
| Compound ID: | 4896-5042 |
| Compound Name: | 4-{10-bromo-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}benzene-1,2-diol |
| Molecular Weight: | 459.32 |
| Molecular Formula: | C19 H15 Br N4 O3 S |
| Smiles: | C=CCSc1nc2c(c3cc(ccc3NC(c3ccc(c(c3)O)O)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1465 |
| logD: | 4.1132 |
| logSw: | -3.9429 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 85.394 |
| InChI Key: | PXYCRKZTJDDBGK-QGZVFWFLSA-N |