ethyl 6-cyano-2-(4-ethoxy-4-oxobutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-cyano-2-(4-ethoxy-4-oxobutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-cyano-2-(4-ethoxy-4-oxobutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V001-6928 |
| Compound Name: | ethyl 6-cyano-2-(4-ethoxy-4-oxobutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 454.54 |
| Molecular Formula: | C24 H26 N2 O5 S |
| Smiles: | CCOC(CCC(Nc1c(C(=O)OCC)c2CCC(Cc2s1)(C#N)c1ccccc1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7817 |
| logD: | 1.4064 |
| logSw: | -4.2255 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.8 |
| InChI Key: | NICXDFCIPRHNNV-XMMPIXPASA-N |