ethyl 2-cyano-3-(5-ethyl-4-nitrothiophen-2-yl)prop-2-enoate
Chemical Structure Depiction of
ethyl 2-cyano-3-(5-ethyl-4-nitrothiophen-2-yl)prop-2-enoate
ethyl 2-cyano-3-(5-ethyl-4-nitrothiophen-2-yl)prop-2-enoate
Compound characteristics
| Compound ID: | Y500-5994 |
| Compound Name: | ethyl 2-cyano-3-(5-ethyl-4-nitrothiophen-2-yl)prop-2-enoate |
| Molecular Weight: | 280.3 |
| Molecular Formula: | C12 H12 N2 O4 S |
| Smiles: | CCc1c(cc(/C=C(/C#N)C(=O)OCC)s1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3051 |
| logD: | 3.3051 |
| logSw: | -3.8297 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.147 |
| InChI Key: | JTIRLIQHVMGHMQ-UHFFFAOYSA-N |