2-amino-4-(4-nitrothiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-nitrothiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
2-amino-4-(4-nitrothiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8001-1642 |
| Compound Name: | 2-amino-4-(4-nitrothiophen-2-yl)-5-oxo-5,6,7,8-tetrahydro-4H-1-benzopyran-3-carbonitrile |
| Molecular Weight: | 317.32 |
| Molecular Formula: | C14 H11 N3 O4 S |
| Smiles: | C1CC2=C(C(C(C#N)=C(N)O2)c2cc(cs2)[N+]([O-])=O)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5503 |
| logD: | 1.5503 |
| logSw: | -2.1501 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 94.002 |
| InChI Key: | PLNLYYUAGBLLSG-LBPRGKRZSA-N |