1-[3-(ethylsulfanyl)-6-[4-(methylsulfanyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Chemical Structure Depiction of
1-[3-(ethylsulfanyl)-6-[4-(methylsulfanyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
1-[3-(ethylsulfanyl)-6-[4-(methylsulfanyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Compound characteristics
| Compound ID: | 4896-5133 |
| Compound Name: | 1-[3-(ethylsulfanyl)-6-[4-(methylsulfanyl)phenyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one |
| Molecular Weight: | 438.57 |
| Molecular Formula: | C22 H22 N4 O2 S2 |
| Smiles: | CCC(N1C(c2ccc(cc2)SC)Oc2c(c3ccccc13)nnc(n2)SCC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.863 |
| logD: | 4.863 |
| logSw: | -4.6792 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 53.644 |
| InChI Key: | CVKXLTVBYVCWOR-NRFANRHFSA-N |