ethyl 2-{3-[5-(4-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{3-[5-(4-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{3-[5-(4-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 3448-3376 |
| Compound Name: | ethyl 2-{3-[5-(4-chlorophenyl)furan-2-yl]-2-cyanoprop-2-enamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 480.97 |
| Molecular Formula: | C25 H21 Cl N2 O4 S |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(C(=C/c1ccc(c2ccc(cc2)[Cl])o1)\C#N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4506 |
| logD: | 1.5233 |
| logSw: | -6.4416 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.424 |
| InChI Key: | OWGKZZJCNYZUEA-UHFFFAOYSA-N |