2-bromo-4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-ethoxyphenol
Chemical Structure Depiction of
2-bromo-4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-ethoxyphenol
2-bromo-4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-ethoxyphenol
Compound characteristics
| Compound ID: | 2050-0804 |
| Compound Name: | 2-bromo-4-[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-6-ethoxyphenol |
| Molecular Weight: | 503.42 |
| Molecular Formula: | C22 H23 Br N4 O3 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(c3cc(c(c(c3)[Br])O)OCC)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6633 |
| logD: | 5.6216 |
| logSw: | -5.2548 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.987 |
| InChI Key: | MONHUJSUKQAMAR-FQEVSTJZSA-N |