ethyl 6-cyano-2-(3-methylbutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-cyano-2-(3-methylbutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-cyano-2-(3-methylbutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V017-9069 |
| Compound Name: | ethyl 6-cyano-2-(3-methylbutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 410.53 |
| Molecular Formula: | C23 H26 N2 O3 S |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(CC(C)C)=O)(C#N)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7932 |
| logD: | 2.2951 |
| logSw: | -4.6178 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.641 |
| InChI Key: | VNJPNRJLDIIMSG-HSZRJFAPSA-N |