4-[2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-methylbenzoate
Chemical Structure Depiction of
4-[2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-methylbenzoate
4-[2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-methylbenzoate
Compound characteristics
| Compound ID: | 8013-9563 |
| Compound Name: | 4-[2-cyano-3-(2-fluoroanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-methylbenzoate |
| Molecular Weight: | 430.43 |
| Molecular Formula: | C25 H19 F N2 O4 |
| Smiles: | Cc1ccc(cc1)C(=O)Oc1ccc(\C=C(/C#N)C(Nc2ccccc2F)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 5.0107 |
| logD: | 4.9232 |
| logSw: | -4.7709 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.783 |
| InChI Key: | XRRBTUJCNKVROO-CPNJWEJPSA-N |