1-[3-(ethylsulfanyl)-6-[5-(4-fluorophenyl)furan-2-yl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[3-(ethylsulfanyl)-6-[5-(4-fluorophenyl)furan-2-yl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[3-(ethylsulfanyl)-6-[5-(4-fluorophenyl)furan-2-yl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 6188-0186 |
| Compound Name: | 1-[3-(ethylsulfanyl)-6-[5-(4-fluorophenyl)furan-2-yl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 462.5 |
| Molecular Formula: | C24 H19 F N4 O3 S |
| Smiles: | CCSc1nc2c(c3ccccc3N(C(c3ccc(c4ccc(cc4)F)o3)O2)C(C)=O)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7856 |
| logD: | 4.7856 |
| logSw: | -4.6653 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.039 |
| InChI Key: | MTIWLKJJADBBJP-QHCPKHFHSA-N |