3-(4-tert-butylphenoxy)-8-[(dipropylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(4-tert-butylphenoxy)-8-[(dipropylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(4-tert-butylphenoxy)-8-[(dipropylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 5847-0246 |
| Compound Name: | 3-(4-tert-butylphenoxy)-8-[(dipropylamino)methyl]-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 491.55 |
| Molecular Formula: | C27 H32 F3 N O4 |
| Smiles: | CCCN(CCC)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)Oc1ccc(cc1)C(C)(C)C)=O)O |
| Stereo: | ACHIRAL |
| logP: | 7.3041 |
| logD: | 6.2242 |
| logSw: | -5.6041 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.787 |
| InChI Key: | HSXJHKWCQVEPAV-UHFFFAOYSA-N |