N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide
Chemical Structure Depiction of
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide
Compound characteristics
| Compound ID: | Y500-4920 |
| Compound Name: | N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-3-(5-nitrofuran-2-yl)prop-2-enamide |
| Molecular Weight: | 331.35 |
| Molecular Formula: | C15 H13 N3 O4 S |
| Smiles: | CCc1c(C#N)c(NC(/C=C/c2ccc([N+]([O-])=O)o2)=O)sc1C |
| Stereo: | ACHIRAL |
| logP: | 3.5149 |
| logD: | 2.3042 |
| logSw: | -3.9655 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.798 |
| InChI Key: | SIKPMDPCMFKZQY-UHFFFAOYSA-N |