1-[3-(methylsulfanyl)-6-{5-[3-(trifluoromethyl)phenyl]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-(methylsulfanyl)-6-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
1-[3-(methylsulfanyl)-6-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | 4896-4814 |
| Compound Name: | 1-[3-(methylsulfanyl)-6-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]ethan-1-one |
| Molecular Weight: | 498.48 |
| Molecular Formula: | C24 H17 F3 N4 O3 S |
| Smiles: | CC(N1C(c2ccc(c3cccc(c3)C(F)(F)F)o2)Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0645 |
| logD: | 5.0645 |
| logSw: | -4.8965 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.039 |
| InChI Key: | DYMYPFJFWFNQNJ-QFIPXVFZSA-N |