1-[6-(2-bromophenyl)-3-(ethylsulfanyl)-10-fluoro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-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]propan-1-one
1-[6-(2-bromophenyl)-3-(ethylsulfanyl)-10-fluoro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Compound characteristics
| Compound ID: | F579-3248 |
| Compound Name: | 1-[6-(2-bromophenyl)-3-(ethylsulfanyl)-10-fluoro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one |
| Molecular Weight: | 489.36 |
| Molecular Formula: | C21 H18 Br F N4 O2 S |
| Smiles: | CCC(N1C(c2ccccc2[Br])Oc2c(c3cc(ccc13)F)nnc(n2)SCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0191 |
| logD: | 5.0191 |
| logSw: | -4.7457 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.644 |
| InChI Key: | JFOVDVCBOUPQMM-FQEVSTJZSA-N |