8-[(dibutylamino)methyl]-3-(2,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-[(dibutylamino)methyl]-3-(2,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-[(dibutylamino)methyl]-3-(2,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 6647-2038 |
| Compound Name: | 8-[(dibutylamino)methyl]-3-(2,5-dimethylphenoxy)-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)Oc1cc(C)ccc1C)=O)O |
| Stereo: | ACHIRAL |
| logP: | 7.4025 |
| logD: | 6.4081 |
| logSw: | -5.4317 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.874 |
| InChI Key: | AGFUVTRSLNECSB-UHFFFAOYSA-N |