ethyl 2-[2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | C301-0415 |
| Compound Name: | ethyl 2-[2-hydroxy-4-(4-methoxyphenyl)-4-oxobut-2-enamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 429.49 |
| Molecular Formula: | C22 H23 N O6 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(/C(=C/C(c1ccc(cc1)OC)=O)O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6987 |
| logD: | -0.9503 |
| logSw: | -4.2547 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.15 |
| InChI Key: | HBEJNMIGXUJBLG-UHFFFAOYSA-N |