2-amino-7-(3,4-dimethoxyphenyl)-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-7-(3,4-dimethoxyphenyl)-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-7-(3,4-dimethoxyphenyl)-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 3536-0259 |
| Compound Name: | 2-amino-7-(3,4-dimethoxyphenyl)-4-(4-nitrophenyl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 447.45 |
| Molecular Formula: | C24 H21 N3 O6 |
| Smiles: | COc1ccc(cc1OC)C1CC2=C(C(C(C#N)=C(N)O2)c2ccc(cc2)[N+]([O-])=O)C(C1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.9805 |
| logD: | 2.9805 |
| logSw: | -3.3892 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.973 |
| InChI Key: | DCWQDKZCNJSKEB-UHFFFAOYSA-N |