3-(2-bromophenoxy)-8-{[cyclohexyl(methyl)amino]methyl}-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
3-(2-bromophenoxy)-8-{[cyclohexyl(methyl)amino]methyl}-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
3-(2-bromophenoxy)-8-{[cyclohexyl(methyl)amino]methyl}-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 3453-0771 |
| Compound Name: | 3-(2-bromophenoxy)-8-{[cyclohexyl(methyl)amino]methyl}-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 526.35 |
| Molecular Formula: | C24 H23 Br F3 N O4 |
| Smiles: | CN(Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)Oc1ccccc1[Br])=O)O)C1CCCCC1 |
| Stereo: | ACHIRAL |
| logP: | 6.0822 |
| logD: | 5.2112 |
| logSw: | -5.3031 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.722 |
| InChI Key: | UYZWLMJWEHQULX-UHFFFAOYSA-N |