ethyl 2-{[(2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzo[b,d]furan-1-yl)methylidene]amino}-4,5-dimethylthiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{[(2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzo[b,d]furan-1-yl)methylidene]amino}-4,5-dimethylthiophene-3-carboxylate
ethyl 2-{[(2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzo[b,d]furan-1-yl)methylidene]amino}-4,5-dimethylthiophene-3-carboxylate
Compound characteristics
| Compound ID: | 5132-0690 |
| Compound Name: | ethyl 2-{[(2-hydroxy-3-nitro-6,7,8,9-tetrahydrodibenzo[b,d]furan-1-yl)methylidene]amino}-4,5-dimethylthiophene-3-carboxylate |
| Molecular Weight: | 442.49 |
| Molecular Formula: | C22 H22 N2 O6 S |
| Smiles: | CCOC(c1c(C)c(C)sc1/N=C/c1c(c(cc2c1c1CCCCc1o2)[N+]([O-])=O)O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5942 |
| logD: | 4.8386 |
| logSw: | -5.6529 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.589 |
| InChI Key: | XKBZEPJSCBHDQJ-UHFFFAOYSA-N |