2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile
2-amino-5-oxo-4-[2-(trifluoromethyl)phenyl]-4H,5H-[1]benzothiopyrano[4,3-b]pyran-3-carbonitrile
Compound characteristics
Compound ID: | 8015-6572 |
Compound Name: | 2-amino-5-oxo-4-[2-(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)c1ccccc1C(F)(F)F)#N |
Stereo: | RACEMIC MIXTURE |
logP: | 4.1586 |
logD: | 4.1586 |
logSw: | -4.6857 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 59.771 |
InChI Key: | MTWNITCRIUOMNH-OAHLLOKOSA-N |