2-amino-4-(5-nitrothiophen-2-yl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(5-nitrothiophen-2-yl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(5-nitrothiophen-2-yl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8010-7459 |
| Compound Name: | 2-amino-4-(5-nitrothiophen-2-yl)-5-oxo-7-phenyl-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 393.42 |
| Molecular Formula: | C20 H15 N3 O4 S |
| Smiles: | C1C(CC(C2C(C(C#N)=C(N)OC1=2)c1ccc([N+]([O-])=O)s1)=O)c1ccccc1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.5424 |
| logD: | 3.5424 |
| logSw: | -3.869 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.082 |
| InChI Key: | YUBPCAFDGCDSOW-UHFFFAOYSA-N |