ethyl 2-(3-phenylprop-2-enamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-(3-phenylprop-2-enamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-(3-phenylprop-2-enamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1000-0502 |
| Compound Name: | ethyl 2-(3-phenylprop-2-enamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 355.45 |
| Molecular Formula: | C20 H21 N O3 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(/C=C/c1ccccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9284 |
| logD: | 2.752 |
| logSw: | -4.6794 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 43.585 |
| InChI Key: | DMKUTXFEEPCGCJ-UHFFFAOYSA-N |