ethyl 2-(2-cyano-3-phenylprop-2-enamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(2-cyano-3-phenylprop-2-enamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(2-cyano-3-phenylprop-2-enamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3643-3298 |
| Compound Name: | ethyl 2-(2-cyano-3-phenylprop-2-enamido)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 394.49 |
| Molecular Formula: | C22 H22 N2 O3 S |
| Smiles: | CCOC(c1c2CCC(C)Cc2sc1NC(C(=C\c1ccccc1)\C#N)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1049 |
| logD: | 0.1966 |
| logSw: | -4.9658 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.854 |
| InChI Key: | ZZSMYUYNWWDDIC-CQSZACIVSA-N |