4-[2-amino-3-cyano-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl]-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate
Chemical Structure Depiction of
4-[2-amino-3-cyano-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl]-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate
4-[2-amino-3-cyano-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl]-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | 8012-0224 |
| Compound Name: | 4-[2-amino-3-cyano-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-4-yl]-2-ethoxy-6-nitrophenyl thiophene-2-carboxylate |
| Molecular Weight: | 547.54 |
| Molecular Formula: | C27 H21 N3 O8 S |
| Smiles: | CCOc1cc(cc(c1OC(c1cccs1)=O)[N+]([O-])=O)C1C(C#N)=C(N)OC2CC(CC(C1=2)=O)c1ccco1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8817 |
| logD: | 3.8817 |
| logSw: | -4.2449 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 129.769 |
| InChI Key: | OCHPLZVCEYWRFT-UHFFFAOYSA-N |