1-[6-(2-bromophenyl)-3-(ethylsulfanyl)-10-fluoro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(2-bromophenyl)-3-(ethylsulfanyl)-10-fluoro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(2-bromophenyl)-3-(ethylsulfanyl)-10-fluoro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-3776 |
| Compound Name: | 1-[6-(2-bromophenyl)-3-(ethylsulfanyl)-10-fluoro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 475.34 |
| Molecular Formula: | C20 H16 Br F N4 O2 S |
| Smiles: | CCSc1nc2c(c3cc(ccc3N(C(c3ccccc3[Br])O2)C(C)=O)F)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4622 |
| logD: | 4.4622 |
| logSw: | -4.4362 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.639 |
| InChI Key: | UIAQMKLVRHPEIV-IBGZPJMESA-N |