methyl 2-{[5-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl]methoxy}benzoate
Chemical Structure Depiction of
methyl 2-{[5-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl]methoxy}benzoate
methyl 2-{[5-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl]methoxy}benzoate
Compound characteristics
| Compound ID: | Y500-4719 |
| Compound Name: | methyl 2-{[5-(2-cyano-3-methoxy-3-oxoprop-1-en-1-yl)-2-methoxyphenyl]methoxy}benzoate |
| Molecular Weight: | 381.38 |
| Molecular Formula: | C21 H19 N O6 |
| Smiles: | COC(C(=C\c1ccc(c(COc2ccccc2C(=O)OC)c1)OC)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.639 |
| logD: | 3.639 |
| logSw: | -3.9456 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 74.587 |
| InChI Key: | GPNYOCZDWCYYKE-UHFFFAOYSA-N |