8-{[butyl(ethyl)amino]methyl}-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-{[butyl(ethyl)amino]methyl}-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-{[butyl(ethyl)amino]methyl}-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
Compound ID: | 5848-4189 |
Compound Name: | 8-{[butyl(ethyl)amino]methyl}-3-(4-ethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
Molecular Weight: | 463.5 |
Molecular Formula: | C25 H28 F3 N O4 |
Smiles: | CCCCN(CC)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)Oc1ccc(CC)cc1)=O)O |
Stereo: | ACHIRAL |
logP: | 6.5098 |
logD: | 5.4898 |
logSw: | -5.4772 |
Hydrogen bond acceptors count: | 6 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.534 |
InChI Key: | BGIMWPIDISJJIB-UHFFFAOYSA-N |