ethyl 6-cyano-6-phenyl-2-(2-phenylbutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-cyano-6-phenyl-2-(2-phenylbutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-cyano-6-phenyl-2-(2-phenylbutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V003-0491 |
| Compound Name: | ethyl 6-cyano-6-phenyl-2-(2-phenylbutanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 472.61 |
| Molecular Formula: | C28 H28 N2 O3 S |
| Smiles: | CCC(C(Nc1c(C(=O)OCC)c2CCC(Cc2s1)(C#N)c1ccccc1)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.9963 |
| logD: | 2.8197 |
| logSw: | -5.6767 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.583 |
| InChI Key: | LDCGHCXTKUYNQL-UHFFFAOYSA-N |