2-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)phenyl thiophene-2-carboxylate
Chemical Structure Depiction of
2-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)phenyl thiophene-2-carboxylate
2-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)phenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | K638-0120 |
| Compound Name: | 2-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)phenyl thiophene-2-carboxylate |
| Molecular Weight: | 442.45 |
| Molecular Formula: | C24 H14 N2 O5 S |
| Smiles: | C(C1C(C2=C(c3ccccc3OC2=O)OC=1N)c1ccccc1OC(c1cccs1)=O)#N |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5692 |
| logD: | 3.5692 |
| logSw: | -3.9885 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.183 |
| InChI Key: | WSLYVHRADOAJCQ-LJQANCHMSA-N |