2-amino-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8012-0112 |
| Compound Name: | 2-amino-4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-7-(furan-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 437.41 |
| Molecular Formula: | C22 H19 N3 O7 |
| Smiles: | CCOc1cc(cc(c1O)[N+]([O-])=O)C1C(C#N)=C(N)OC2CC(CC(C1=2)=O)c1ccco1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.972 |
| logD: | 2.7927 |
| logSw: | -3.2967 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 123.679 |
| InChI Key: | NZFANHAAMXWBCM-UHFFFAOYSA-N |