propan-2-yl 4-cyano-3-methyl-5-(2-phenylbutanamido)thiophene-2-carboxylate
Chemical Structure Depiction of
propan-2-yl 4-cyano-3-methyl-5-(2-phenylbutanamido)thiophene-2-carboxylate
propan-2-yl 4-cyano-3-methyl-5-(2-phenylbutanamido)thiophene-2-carboxylate
Compound characteristics
| Compound ID: | Y203-7905 |
| Compound Name: | propan-2-yl 4-cyano-3-methyl-5-(2-phenylbutanamido)thiophene-2-carboxylate |
| Molecular Weight: | 370.47 |
| Molecular Formula: | C20 H22 N2 O3 S |
| Smiles: | CCC(C(Nc1c(C#N)c(C)c(C(=O)OC(C)C)s1)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4608 |
| logD: | 2.4682 |
| logSw: | -4.3342 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.613 |
| InChI Key: | RZTXQRIPXGEXHZ-OAHLLOKOSA-N |