ethyl 6-cyano-2-(2-ethylbutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-cyano-2-(2-ethylbutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-cyano-2-(2-ethylbutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V015-7058 |
| Compound Name: | ethyl 6-cyano-2-(2-ethylbutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 424.56 |
| Molecular Formula: | C24 H28 N2 O3 S |
| Smiles: | CCC(CC)C(Nc1c(C(=O)OCC)c2CCC(Cc2s1)(C#N)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1176 |
| logD: | 2.368 |
| logSw: | -5.0987 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.854 |
| InChI Key: | OMSDKZGGNYKXPX-XMMPIXPASA-N |