ethyl 2-{[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 8009-1743 |
| Compound Name: | ethyl 2-{[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 453.31 |
| Molecular Formula: | C18 H17 Br N2 O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1/N=C/c1cc(c(c(c1)[Br])O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9861 |
| logD: | 3.2393 |
| logSw: | -4.6836 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.394 |
| InChI Key: | NDSMGPFKTRCNOG-UHFFFAOYSA-N |