ethyl 2-{[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 0958-0196 |
| Compound Name: | ethyl 2-{[(3-ethoxy-2-hydroxy-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 418.47 |
| Molecular Formula: | C20 H22 N2 O6 S |
| Smiles: | CCOC(c1c2CCCCc2sc1/N=C/c1cc(cc(c1O)OCC)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9484 |
| logD: | 3.8081 |
| logSw: | -4.5417 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.905 |
| InChI Key: | PTEPMQWKUBGXCS-UHFFFAOYSA-N |