3-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]phenyl 4-methoxybenzoate
Chemical Structure Depiction of
3-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]phenyl 4-methoxybenzoate
3-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]phenyl 4-methoxybenzoate
Compound characteristics
| Compound ID: | 8013-9429 |
| Compound Name: | 3-[2-cyano-3-(2-methylanilino)-3-oxoprop-1-en-1-yl]phenyl 4-methoxybenzoate |
| Molecular Weight: | 412.44 |
| Molecular Formula: | C25 H20 N2 O4 |
| Smiles: | Cc1ccccc1NC(C(=C\c1cccc(c1)OC(c1ccc(cc1)OC)=O)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5116 |
| logD: | 4.5094 |
| logSw: | -4.4809 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.61 |
| InChI Key: | PVQCDWKXJSXCGR-UHFFFAOYSA-N |