ethyl 2-(4-chlorobenzamido)-6-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(4-chlorobenzamido)-6-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(4-chlorobenzamido)-6-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3379-0923 |
| Compound Name: | ethyl 2-(4-chlorobenzamido)-6-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 464.97 |
| Molecular Formula: | C25 H21 Cl N2 O3 S |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(c1ccc(cc1)[Cl])=O)(C#N)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6166 |
| logD: | 1.0629 |
| logSw: | -6.0564 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.583 |
| InChI Key: | DPKVTBBHEXFFHI-RUZDIDTESA-N |