8-{[bis(2-methylpropyl)amino]methyl}-3-(2-chlorophenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Chemical Structure Depiction of
8-{[bis(2-methylpropyl)amino]methyl}-3-(2-chlorophenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
8-{[bis(2-methylpropyl)amino]methyl}-3-(2-chlorophenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one
Compound characteristics
| Compound ID: | 5848-3977 |
| Compound Name: | 8-{[bis(2-methylpropyl)amino]methyl}-3-(2-chlorophenoxy)-7-hydroxy-2-(trifluoromethyl)-4H-1-benzopyran-4-one |
| Molecular Weight: | 497.94 |
| Molecular Formula: | C25 H27 Cl F3 N O4 |
| Smiles: | CC(C)CN(CC(C)C)Cc1c(ccc2C(C(=C(C(F)(F)F)Oc12)Oc1ccccc1[Cl])=O)O |
| Stereo: | ACHIRAL |
| logP: | 6.7858 |
| logD: | 5.6716 |
| logSw: | -5.7858 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 47.917 |
| InChI Key: | ULKVEXALJDMAJP-UHFFFAOYSA-N |