5-[2-cyano-3-oxo-3-(2,4,6-trimethylanilino)prop-1-en-1-yl]-2-methoxyphenyl benzoate
Chemical Structure Depiction of
5-[2-cyano-3-oxo-3-(2,4,6-trimethylanilino)prop-1-en-1-yl]-2-methoxyphenyl benzoate
5-[2-cyano-3-oxo-3-(2,4,6-trimethylanilino)prop-1-en-1-yl]-2-methoxyphenyl benzoate
Compound characteristics
| Compound ID: | 8013-9425 |
| Compound Name: | 5-[2-cyano-3-oxo-3-(2,4,6-trimethylanilino)prop-1-en-1-yl]-2-methoxyphenyl benzoate |
| Molecular Weight: | 440.5 |
| Molecular Formula: | C27 H24 N2 O4 |
| Smiles: | Cc1cc(C)c(c(C)c1)NC(C(=C\c1ccc(c(c1)OC(c1ccccc1)=O)OC)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0305 |
| logD: | 5.0256 |
| logSw: | -4.7355 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.085 |
| InChI Key: | WRFGWLSMNNPJHE-UHFFFAOYSA-N |