ethyl 6-cyano-2-(4-methoxy-4-oxobutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-cyano-2-(4-methoxy-4-oxobutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-cyano-2-(4-methoxy-4-oxobutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V011-0826 |
| Compound Name: | ethyl 6-cyano-2-(4-methoxy-4-oxobutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C23 H24 N2 O5 S |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(CCC(=O)OC)=O)(C#N)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3252 |
| logD: | 0.9499 |
| logSw: | -3.6897 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.22 |
| InChI Key: | XZTNKUUFDKULGK-HSZRJFAPSA-N |