ethyl 2-{[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-{[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-6026 |
| Compound Name: | ethyl 2-{[(2-hydroxy-6-nitronaphthalen-1-yl)methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 424.47 |
| Molecular Formula: | C22 H20 N2 O5 S |
| Smiles: | CCOC(c1c2CCCCc2sc1/N=C/c1c(ccc2cc(ccc12)[N+]([O-])=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6411 |
| logD: | 5.6333 |
| logSw: | -5.8294 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.493 |
| InChI Key: | ASAPPZACRVLAHE-UHFFFAOYSA-N |