4-{2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-en-1-yl}phenyl 4-methylbenzoate
Chemical Structure Depiction of
4-{2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-en-1-yl}phenyl 4-methylbenzoate
4-{2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-en-1-yl}phenyl 4-methylbenzoate
Compound characteristics
| Compound ID: | 8013-8268 |
| Compound Name: | 4-{2-cyano-3-oxo-3-[2-(trifluoromethyl)anilino]prop-1-en-1-yl}phenyl 4-methylbenzoate |
| Molecular Weight: | 450.42 |
| Molecular Formula: | C25 H17 F3 N2 O3 |
| Smiles: | Cc1ccc(cc1)C(=O)Oc1ccc(\C=C(/C#N)C(Nc2ccccc2C(F)(F)F)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 5.7847 |
| logD: | 5.7825 |
| logSw: | -5.6153 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.066 |
| InChI Key: | KBICUZVQWRGCBP-UHFFFAOYSA-N |