ethyl 4-{5-[3-(tert-butylamino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
Chemical Structure Depiction of
ethyl 4-{5-[3-(tert-butylamino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
ethyl 4-{5-[3-(tert-butylamino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate
Compound characteristics
| Compound ID: | 2044-0206 |
| Compound Name: | ethyl 4-{5-[3-(tert-butylamino)-2-cyano-3-oxoprop-1-en-1-yl]furan-2-yl}benzoate |
| Molecular Weight: | 366.42 |
| Molecular Formula: | C21 H22 N2 O4 |
| Smiles: | CCOC(c1ccc(cc1)c1ccc(\C=C(/C#N)C(NC(C)(C)C)=O)o1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7773 |
| logD: | 4.7773 |
| logSw: | -4.4466 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.127 |
| InChI Key: | ICXMYQCRCKTNES-UHFFFAOYSA-N |