methyl 4-cyano-5-[3-(2,4-dichlorophenyl)prop-2-enamido]-3-methylthiophene-2-carboxylate
Chemical Structure Depiction of
methyl 4-cyano-5-[3-(2,4-dichlorophenyl)prop-2-enamido]-3-methylthiophene-2-carboxylate
methyl 4-cyano-5-[3-(2,4-dichlorophenyl)prop-2-enamido]-3-methylthiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y508-5509 |
| Compound Name: | methyl 4-cyano-5-[3-(2,4-dichlorophenyl)prop-2-enamido]-3-methylthiophene-2-carboxylate |
| Molecular Weight: | 395.26 |
| Molecular Formula: | C17 H12 Cl2 N2 O3 S |
| Smiles: | Cc1c(C#N)c(NC(/C=C/c2ccc(cc2[Cl])[Cl])=O)sc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 4.8898 |
| logD: | 2.9802 |
| logSw: | -5.1718 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.141 |
| InChI Key: | JUZKQNZFSIOVSB-UHFFFAOYSA-N |