1-[6-(2-bromo-5-ethoxy-4-methoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Chemical Structure Depiction of
1-[6-(2-bromo-5-ethoxy-4-methoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
1-[6-(2-bromo-5-ethoxy-4-methoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Compound characteristics
| Compound ID: | 4896-5151 |
| Compound Name: | 1-[6-(2-bromo-5-ethoxy-4-methoxyphenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one |
| Molecular Weight: | 531.43 |
| Molecular Formula: | C23 H23 Br N4 O4 S |
| Smiles: | CCC(N1C(c2cc(c(cc2[Br])OC)OCC)Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.9281 |
| logD: | 3.9281 |
| logSw: | -4.0799 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.484 |
| InChI Key: | MYKMBUPDTWPYOH-QFIPXVFZSA-N |