ethyl 6-cyano-2-(2-methylbutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-cyano-2-(2-methylbutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-cyano-2-(2-methylbutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V017-9080 |
| Compound Name: | ethyl 6-cyano-2-(2-methylbutanamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 410.53 |
| Molecular Formula: | C23 H26 N2 O3 S |
| Smiles: | CCC(C)C(Nc1c(C(=O)OCC)c2CCC(Cc2s1)(C#N)c1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.857 |
| logD: | 2.3026 |
| logSw: | -4.6322 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.854 |
| InChI Key: | QRBSZOYLEAQETM-UHFFFAOYSA-N |