1-[6-(4-ethoxy-3-methoxyphenyl)-10-fluoro-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Chemical Structure Depiction of
1-[6-(4-ethoxy-3-methoxyphenyl)-10-fluoro-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
1-[6-(4-ethoxy-3-methoxyphenyl)-10-fluoro-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Compound characteristics
| Compound ID: | F579-3626 |
| Compound Name: | 1-[6-(4-ethoxy-3-methoxyphenyl)-10-fluoro-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one |
| Molecular Weight: | 484.55 |
| Molecular Formula: | C24 H25 F N4 O4 S |
| Smiles: | CCCC(N1C(c2ccc(c(c2)OC)OCC)Oc2c(c3cc(ccc13)F)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6369 |
| logD: | 4.6369 |
| logSw: | -4.6313 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 68.484 |
| InChI Key: | ZBUWDIRRXPUUNB-QHCPKHFHSA-N |