ethyl 2-[2-cyano-3-(2-fluorophenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-cyano-3-(2-fluorophenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-cyano-3-(2-fluorophenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3448-3371 |
| Compound Name: | ethyl 2-[2-cyano-3-(2-fluorophenyl)prop-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 398.45 |
| Molecular Formula: | C21 H19 F N2 O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(C(=C/c1ccccc1F)\C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6851 |
| logD: | -1.1626 |
| logSw: | -4.4963 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.854 |
| InChI Key: | WKOPKNYOGFYOSU-UHFFFAOYSA-N |