4-[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-chloro-6-methoxyphenol
Chemical Structure Depiction of
4-[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-chloro-6-methoxyphenol
4-[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-chloro-6-methoxyphenol
Compound characteristics
| Compound ID: | 4896-4059 |
| Compound Name: | 4-[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-chloro-6-methoxyphenol |
| Molecular Weight: | 495.78 |
| Molecular Formula: | C19 H16 Br Cl N4 O3 S |
| Smiles: | CCSc1nc2c(c3cc(ccc3NC(c3cc(c(c(c3)[Cl])O)OC)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2309 |
| logD: | 5.1593 |
| logSw: | -5.3051 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.407 |
| InChI Key: | BFMQAAAUWYLSAB-QGZVFWFLSA-N |