1-[6-(5-bromo-2,3-dimethoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[6-(5-bromo-2,3-dimethoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[6-(5-bromo-2,3-dimethoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 4896-3647 |
| Compound Name: | 1-[6-(5-bromo-2,3-dimethoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 503.37 |
| Molecular Formula: | C21 H19 Br N4 O4 S |
| Smiles: | CC(N1C(c2cc(cc(c2OC)OC)[Br])Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9735 |
| logD: | 3.9735 |
| logSw: | -4.2916 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.987 |
| InChI Key: | QQPZRXCXQSLUQE-FQEVSTJZSA-N |