1-[6-(3-bromo-4-methoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(3-bromo-4-methoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(3-bromo-4-methoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 5704-0048 |
| Compound Name: | 1-[6-(3-bromo-4-methoxyphenyl)-3-(ethylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 487.37 |
| Molecular Formula: | C21 H19 Br N4 O3 S |
| Smiles: | CCSc1nc2c(c3ccccc3N(C(c3ccc(c(c3)[Br])OC)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9754 |
| logD: | 3.9754 |
| logSw: | -4.1925 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.27 |
| InChI Key: | VNDMADWAKCPECM-FQEVSTJZSA-N |