8-{[butyl(methyl)amino]methyl}-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-{[butyl(methyl)amino]methyl}-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-{[butyl(methyl)amino]methyl}-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 3643-2346 |
| Compound Name: | 8-{[butyl(methyl)amino]methyl}-3-(3,4-dimethoxyphenyl)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 465.47 |
| Molecular Formula: | C24 H26 F3 N O5 |
| Smiles: | CCCCN(C)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)c1ccc(c(c1)OC)OC)=O)O |
| Stereo: | ACHIRAL |
| logP: | 4.6422 |
| logD: | 3.7587 |
| logSw: | -4.241 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.865 |
| InChI Key: | UXUITPMLYGDMKA-UHFFFAOYSA-N |