2-amino-5-oxo-4-[3-(trifluoromethyl)phenyl]-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-5-oxo-4-[3-(trifluoromethyl)phenyl]-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile
2-amino-5-oxo-4-[3-(trifluoromethyl)phenyl]-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8016-8302 |
| Compound Name: | 2-amino-5-oxo-4-[3-(trifluoromethyl)phenyl]-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile |
| Molecular Weight: | 400.38 |
| Molecular Formula: | C20 H11 F3 N2 O2 S |
| Smiles: | C(C1C(C2=C(c3ccccc3SC2=O)OC=1N)c1cccc(c1)C(F)(F)F)#N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0289 |
| logD: | 4.0289 |
| logSw: | -4.5564 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.771 |
| InChI Key: | XXQQDOPKDHKZDX-OAHLLOKOSA-N |