ethyl 2-{2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamido}-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamido}-4,5-dimethylthiophene-3-carboxylate
ethyl 2-{2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamido}-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3771-6463 |
| Compound Name: | ethyl 2-{2-cyano-3-[5-(2-nitrophenyl)furan-2-yl]prop-2-enamido}-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 465.48 |
| Molecular Formula: | C23 H19 N3 O6 S |
| Smiles: | CCOC(c1c(C)c(C)sc1NC(C(=C/c1ccc(c2ccccc2[N+]([O-])=O)o1)\C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8882 |
| logD: | -0.0804 |
| logSw: | -4.7598 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 101.584 |
| InChI Key: | JVVGZHIKNKEMJD-UHFFFAOYSA-N |