ethyl 4-cyano-5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylthiophene-2-carboxylate
Chemical Structure Depiction of
ethyl 4-cyano-5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylthiophene-2-carboxylate
ethyl 4-cyano-5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylthiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8007-8629 |
| Compound Name: | ethyl 4-cyano-5-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-3-methylthiophene-2-carboxylate |
| Molecular Weight: | 340.36 |
| Molecular Formula: | C17 H12 N2 O4 S |
| Smiles: | CCOC(c1c(C)c(C#N)c(N2C(c3ccccc3C2=O)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.082 |
| logD: | 3.082 |
| logSw: | -3.252 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 67.759 |
| InChI Key: | HNDKMUGHXUMZMG-UHFFFAOYSA-N |