methyl 4-cyano-5-dodecanamido-3-methylthiophene-2-carboxylate
Chemical Structure Depiction of
methyl 4-cyano-5-dodecanamido-3-methylthiophene-2-carboxylate
methyl 4-cyano-5-dodecanamido-3-methylthiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y500-5019 |
| Compound Name: | methyl 4-cyano-5-dodecanamido-3-methylthiophene-2-carboxylate |
| Molecular Weight: | 378.53 |
| Molecular Formula: | C20 H30 N2 O3 S |
| Smiles: | CCCCCCCCCCCC(Nc1c(C#N)c(C)c(C(=O)OC)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.9172 |
| logD: | 4.772 |
| logSw: | -5.2587 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.412 |
| InChI Key: | FKQBMGGMLWQIKI-UHFFFAOYSA-N |