2-amino-4-(4-nitrothiophen-2-yl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
Chemical Structure Depiction of
2-amino-4-(4-nitrothiophen-2-yl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
2-amino-4-(4-nitrothiophen-2-yl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile
Compound characteristics
| Compound ID: | 8001-8067 |
| Compound Name: | 2-amino-4-(4-nitrothiophen-2-yl)-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-3-carbonitrile |
| Molecular Weight: | 367.34 |
| Molecular Formula: | C17 H9 N3 O5 S |
| Smiles: | C(C1C(C2=C(c3ccccc3OC2=O)OC=1N)c1cc(cs1)[N+]([O-])=O)#N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2454 |
| logD: | 2.2454 |
| logSw: | -3.1111 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.1 |
| InChI Key: | PRJQAGYKKWMYQS-ZDUSSCGKSA-N |