8-[(dibenzylamino)methyl]-3-(2,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-[(dibenzylamino)methyl]-3-(2,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-[(dibenzylamino)methyl]-3-(2,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 6647-2132 |
| Compound Name: | 8-[(dibenzylamino)methyl]-3-(2,5-dimethylphenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 559.59 |
| Molecular Formula: | C33 H28 F3 N O4 |
| Smiles: | Cc1ccc(C)c(c1)OC1=C(C(F)(F)F)Oc2c(ccc(c2CN(Cc2ccccc2)Cc2ccccc2)O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 7.7499 |
| logD: | 7.5753 |
| logSw: | -5.5315 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.374 |
| InChI Key: | MGNWNVOITMREJW-UHFFFAOYSA-N |