2-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyanilino)-1H-inden-1-one
Chemical Structure Depiction of
2-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyanilino)-1H-inden-1-one
2-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyanilino)-1H-inden-1-one
Compound characteristics
| Compound ID: | C301-6100 |
| Compound Name: | 2-[4-(trifluoromethyl)phenyl]-3-(3,4,5-trimethoxyanilino)-1H-inden-1-one |
| Molecular Weight: | 455.43 |
| Molecular Formula: | C25 H20 F3 N O4 |
| Smiles: | COc1cc(cc(c1OC)OC)NC1=C(C(c2ccccc12)=O)c1ccc(cc1)C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 5.1373 |
| logD: | 5.0324 |
| logSw: | -5.0536 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.489 |
| InChI Key: | GXMUNAZRXLICKK-UHFFFAOYSA-N |