1-[10-chloro-6-(3-fluorophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[10-chloro-6-(3-fluorophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[10-chloro-6-(3-fluorophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-4728 |
| Compound Name: | 1-[10-chloro-6-(3-fluorophenyl)-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 416.86 |
| Molecular Formula: | C19 H14 Cl F N4 O2 S |
| Smiles: | CC(N1C(c2cccc(c2)F)Oc2c(c3cc(ccc13)[Cl])nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0092 |
| logD: | 4.0092 |
| logSw: | -4.5026 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.639 |
| InChI Key: | PXXXMTGFMDTMGP-GOSISDBHSA-N |