3-(3,5-dimethylphenoxy)-8-[(dipropylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(3,5-dimethylphenoxy)-8-[(dipropylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(3,5-dimethylphenoxy)-8-[(dipropylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 5847-0234 |
| Compound Name: | 3-(3,5-dimethylphenoxy)-8-[(dipropylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 463.5 |
| Molecular Formula: | C25 H28 F3 N O4 |
| Smiles: | CCCN(CCC)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)Oc1cc(C)cc(C)c1)=O)O |
| Stereo: | ACHIRAL |
| logP: | 6.2923 |
| logD: | 5.2124 |
| logSw: | -5.3693 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.787 |
| InChI Key: | GCROPVKLPQWOSF-UHFFFAOYSA-N |