ethyl 6-cyano-2-(4-nitrobenzamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 6-cyano-2-(4-nitrobenzamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 6-cyano-2-(4-nitrobenzamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3379-0930 |
| Compound Name: | ethyl 6-cyano-2-(4-nitrobenzamido)-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 475.52 |
| Molecular Formula: | C25 H21 N3 O5 S |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(c1ccc(cc1)[N+]([O-])=O)=O)(C#N)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9475 |
| logD: | 1.1619 |
| logSw: | -4.824 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.965 |
| InChI Key: | VLKCTFXFFRTRFC-RUZDIDTESA-N |