10-bromo-3-(methylsulfanyl)-6-{4-[(prop-2-en-1-yl)oxy]phenyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Chemical Structure Depiction of
10-bromo-3-(methylsulfanyl)-6-{4-[(prop-2-en-1-yl)oxy]phenyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
10-bromo-3-(methylsulfanyl)-6-{4-[(prop-2-en-1-yl)oxy]phenyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine
Compound characteristics
| Compound ID: | 6188-0229 |
| Compound Name: | 10-bromo-3-(methylsulfanyl)-6-{4-[(prop-2-en-1-yl)oxy]phenyl}-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepine |
| Molecular Weight: | 457.35 |
| Molecular Formula: | C20 H17 Br N4 O2 S |
| Smiles: | CSc1nc2c(c3cc(ccc3NC(c3ccc(cc3)OCC=C)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0973 |
| logD: | 5.0973 |
| logSw: | -4.9707 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.715 |
| InChI Key: | DWGVCZBCWJREEB-GOSISDBHSA-N |