3-(5-chloro-2,4-dimethoxyanilino)-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one
Chemical Structure Depiction of
3-(5-chloro-2,4-dimethoxyanilino)-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one
3-(5-chloro-2,4-dimethoxyanilino)-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one
Compound characteristics
| Compound ID: | C301-6098 |
| Compound Name: | 3-(5-chloro-2,4-dimethoxyanilino)-2-[4-(trifluoromethyl)phenyl]-1H-inden-1-one |
| Molecular Weight: | 459.85 |
| Molecular Formula: | C24 H17 Cl F3 N O3 |
| Smiles: | COc1cc(c(cc1NC1=C(C(c2ccccc12)=O)c1ccc(cc1)C(F)(F)F)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 6.379 |
| logD: | 5.5112 |
| logSw: | -6.2068 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.074 |
| InChI Key: | ILPCUMUMXPOJJP-UHFFFAOYSA-N |