methyl 4-cyano-3-methyl-5-(2-phenylbutanamido)thiophene-2-carboxylate
Chemical Structure Depiction of
methyl 4-cyano-3-methyl-5-(2-phenylbutanamido)thiophene-2-carboxylate
methyl 4-cyano-3-methyl-5-(2-phenylbutanamido)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y204-1851 |
| Compound Name: | methyl 4-cyano-3-methyl-5-(2-phenylbutanamido)thiophene-2-carboxylate |
| Molecular Weight: | 342.41 |
| Molecular Formula: | C18 H18 N2 O3 S |
| Smiles: | CCC(C(Nc1c(C#N)c(C)c(C(=O)OC)s1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7 |
| logD: | 1.7073 |
| logSw: | -4.2139 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.354 |
| InChI Key: | QLBJAKOHENASEL-CYBMUJFWSA-N |