4-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate
Chemical Structure Depiction of
4-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate
4-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8012-0143 |
| Compound Name: | 4-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate |
| Molecular Weight: | 531.5 |
| Molecular Formula: | C26 H17 N3 O8 S |
| Smiles: | CCOc1cc(cc(c1OC(c1cccs1)=O)[N+]([O-])=O)C1C(C#N)=C(N)OC2=C1C(=O)Oc1ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.6618 |
| logD: | 3.6618 |
| logSw: | -4.2012 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 129.56 |
| InChI Key: | FQERKANDQGKECL-HXUWFJFHSA-N |