ethyl 2-(4-tert-butylbenzamido)-6-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-tert-butylbenzamido)-6-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(4-tert-butylbenzamido)-6-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V007-9537 |
| Compound Name: | ethyl 2-(4-tert-butylbenzamido)-6-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 486.63 |
| Molecular Formula: | C29 H30 N2 O3 S |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(c1ccc(cc1)C(C)(C)C)=O)(C#N)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.8163 |
| logD: | 3.1017 |
| logSw: | -5.868 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.583 |
| InChI Key: | VEZYYJQVIMDOKX-GDLZYMKVSA-N |