3-{10-bromo-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
3-{10-bromo-3-[(prop-2-en-1-yl)sulfanyl]-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl}phenol
3-{10-bromo-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: | 4896-4986 |
| Compound Name: | 3-{10-bromo-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(c3cc(ccc3NC(c3cccc(c3)O)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7559 |
| logD: | 4.7404 |
| logSw: | -4.4339 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.914 |
| InChI Key: | GUQIGJAGAPWMGS-QGZVFWFLSA-N |