5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-methoxybenzoate
Chemical Structure Depiction of
5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-methoxybenzoate
5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-methoxybenzoate
Compound characteristics
| Compound ID: | 8013-9431 |
| Compound Name: | 5-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]-2-methoxyphenyl 4-methoxybenzoate |
| Molecular Weight: | 442.47 |
| Molecular Formula: | C26 H22 N2 O5 |
| Smiles: | Cc1ccccc1NC(C(=C\c1ccc(c(c1)OC(c1ccc(cc1)OC)=O)OC)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7352 |
| logD: | 4.733 |
| logSw: | -4.652 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.327 |
| InChI Key: | NVODYUNDOSTTKE-UHFFFAOYSA-N |