1-[10-chloro-3-(methylsulfanyl)-6-[4-(trifluoromethyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[10-chloro-3-(methylsulfanyl)-6-[4-(trifluoromethyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[10-chloro-3-(methylsulfanyl)-6-[4-(trifluoromethyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-4693 |
| Compound Name: | 1-[10-chloro-3-(methylsulfanyl)-6-[4-(trifluoromethyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 466.87 |
| Molecular Formula: | C20 H14 Cl F3 N4 O2 S |
| Smiles: | CC(N1C(c2ccc(cc2)C(F)(F)F)Oc2c(c3cc(ccc13)[Cl])nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8264 |
| logD: | 4.8264 |
| logSw: | -4.9839 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 54.639 |
| InChI Key: | WYELMVDNMZLLJC-GOSISDBHSA-N |