ethyl 6-cyano-2-(2-ethylhexanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-cyano-2-(2-ethylhexanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-cyano-2-(2-ethylhexanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V009-5848 |
| Compound Name: | ethyl 6-cyano-2-(2-ethylhexanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 452.62 |
| Molecular Formula: | C26 H32 N2 O3 S |
| Smiles: | CCCCC(CC)C(Nc1c(C(=O)OCC)c2CCC(Cc2s1)(C#N)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 6.1904 |
| logD: | 3.4408 |
| logSw: | -5.5195 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.854 |
| InChI Key: | XBPVCQLNWVBQDD-UHFFFAOYSA-N |