ethyl 4-{2-cyano-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]prop-2-enamido}benzoate
Chemical Structure Depiction of
ethyl 4-{2-cyano-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]prop-2-enamido}benzoate
ethyl 4-{2-cyano-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]prop-2-enamido}benzoate
Compound characteristics
| Compound ID: | Y505-4445 |
| Compound Name: | ethyl 4-{2-cyano-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]prop-2-enamido}benzoate |
| Molecular Weight: | 445.43 |
| Molecular Formula: | C24 H19 N3 O6 |
| Smiles: | CCOC(c1ccc(cc1)NC(C(=C\c1ccc(c2ccc(cc2C)[N+]([O-])=O)o1)\C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6474 |
| logD: | 5.5873 |
| logSw: | -5.4376 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.091 |
| InChI Key: | NTCUMTRFKCTULR-UHFFFAOYSA-N |