1-[3-(ethylsulfanyl)-10-fluoro-6-[4-(methylsulfanyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(ethylsulfanyl)-10-fluoro-6-[4-(methylsulfanyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[3-(ethylsulfanyl)-10-fluoro-6-[4-(methylsulfanyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-3794 |
| Compound Name: | 1-[3-(ethylsulfanyl)-10-fluoro-6-[4-(methylsulfanyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 442.53 |
| Molecular Formula: | C21 H19 F N4 O2 S2 |
| Smiles: | CCSc1nc2c(c3cc(ccc3N(C(c3ccc(cc3)SC)O2)C(C)=O)F)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6178 |
| logD: | 4.6178 |
| logSw: | -4.5055 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.639 |
| InChI Key: | NUVAKKGLHXKUGM-FQEVSTJZSA-N |