2-amino-4-(4-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(4-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8006-8576 |
| Compound Name: | 2-amino-4-(4-nitrophenyl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 387.39 |
| Molecular Formula: | C22 H17 N3 O4 |
| Smiles: | C1C(CC(C2C(C(C#N)=C(N)OC1=2)c1ccc(cc1)[N+]([O-])=O)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.4884 |
| logD: | 3.4884 |
| logSw: | -3.8208 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.712 |
| InChI Key: | WOGBCQGCWMTUEA-UHFFFAOYSA-N |