ethyl 2-[2-(acetyloxy)-2-methylpropanamido]-6-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-(acetyloxy)-2-methylpropanamido]-6-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-(acetyloxy)-2-methylpropanamido]-6-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | V012-0652 |
| Compound Name: | ethyl 2-[2-(acetyloxy)-2-methylpropanamido]-6-cyano-6-phenyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 454.54 |
| Molecular Formula: | C24 H26 N2 O5 S |
| Smiles: | CCOC(c1c2CCC(Cc2sc1NC(C(C)(C)OC(C)=O)=O)(C#N)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8206 |
| logD: | 1.2402 |
| logSw: | -4.305 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.806 |
| InChI Key: | XOXIFRKBLGYYJJ-XMMPIXPASA-N |