ethyl 6-cyano-6-phenyl-2-(3,5,5-trimethylhexanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-cyano-6-phenyl-2-(3,5,5-trimethylhexanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-cyano-6-phenyl-2-(3,5,5-trimethylhexanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V001-6940 |
| Compound Name: | ethyl 6-cyano-6-phenyl-2-(3,5,5-trimethylhexanamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 466.64 |
| Molecular Formula: | C27 H34 N2 O3 S |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(CC(C)CC(C)(C)C)=O)(C#N)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.2643 |
| logD: | 3.7662 |
| logSw: | -5.6117 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.641 |
| InChI Key: | CPAOVNAXBSHDBN-UHFFFAOYSA-N |