ethyl 2-[2-(benzyloxy)acetamido]-6-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(benzyloxy)acetamido]-6-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-(benzyloxy)acetamido]-6-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V001-6870 |
| Compound Name: | ethyl 2-[2-(benzyloxy)acetamido]-6-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 474.58 |
| Molecular Formula: | C27 H26 N2 O4 S |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(COCc1ccccc1)=O)(C#N)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9391 |
| logD: | 1.9396 |
| logSw: | -4.8467 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.804 |
| InChI Key: | CQNBGMHZBYYGBL-HHHXNRCGSA-N |