8-[(dibutylamino)methyl]-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-[(dibutylamino)methyl]-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-[(dibutylamino)methyl]-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
Compound ID: | 5848-4126 |
Compound Name: | 8-[(dibutylamino)methyl]-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
Molecular Weight: | 491.55 |
Molecular Formula: | C27 H32 F3 N O4 |
Smiles: | CCCCN(CCCC)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)Oc1ccc(CC)cc1)=O)O |
Stereo: | ACHIRAL |
logP: | 7.4749 |
logD: | 6.4805 |
logSw: | -5.508 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.787 |
InChI Key: | WPWKIPBAQUAOCR-UHFFFAOYSA-N |