propan-2-yl 4-cyano-5-(2-ethylbutanamido)-3-methylthiophene-2-carboxylate
Chemical Structure Depiction of
propan-2-yl 4-cyano-5-(2-ethylbutanamido)-3-methylthiophene-2-carboxylate
propan-2-yl 4-cyano-5-(2-ethylbutanamido)-3-methylthiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y204-1235 |
| Compound Name: | propan-2-yl 4-cyano-5-(2-ethylbutanamido)-3-methylthiophene-2-carboxylate |
| Molecular Weight: | 322.42 |
| Molecular Formula: | C16 H22 N2 O3 S |
| Smiles: | CCC(CC)C(Nc1c(C#N)c(C)c(C(=O)OC(C)C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5821 |
| logD: | 2.0095 |
| logSw: | -3.7815 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.884 |
| InChI Key: | UFJOZARCSGAWNW-UHFFFAOYSA-N |