ethyl 2-{[(2-hydroxy-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(2-hydroxy-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(2-hydroxy-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1486-0122 |
| Compound Name: | ethyl 2-{[(2-hydroxy-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 374.41 |
| Molecular Formula: | C18 H18 N2 O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1/N=C/c1cc(ccc1O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5658 |
| logD: | 3.4602 |
| logSw: | -4.415 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.764 |
| InChI Key: | YJZMOLJYKFZGQK-UHFFFAOYSA-N |