1-[3-(ethylsulfanyl)-10-methyl-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-methyl-6-[4-(methylsulfanyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[3-(ethylsulfanyl)-10-methyl-6-[4-(methylsulfanyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F579-1167 |
| Compound Name: | 1-[3-(ethylsulfanyl)-10-methyl-6-[4-(methylsulfanyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 438.57 |
| Molecular Formula: | C22 H22 N4 O2 S2 |
| Smiles: | CCSc1nc2c(c3cc(C)ccc3N(C(c3ccc(cc3)SC)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7989 |
| logD: | 4.7989 |
| logSw: | -4.6615 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 54.639 |
| InChI Key: | BZUWGJLZOZKDOO-NRFANRHFSA-N |