4-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)-2-methoxyphenyl thiophene-2-carboxylate
Chemical Structure Depiction of
4-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)-2-methoxyphenyl thiophene-2-carboxylate
4-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)-2-methoxyphenyl thiophene-2-carboxylate
Compound characteristics
| Compound ID: | K638-0125 |
| Compound Name: | 4-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)-2-methoxyphenyl thiophene-2-carboxylate |
| Molecular Weight: | 472.48 |
| Molecular Formula: | C25 H16 N2 O6 S |
| Smiles: | COc1cc(ccc1OC(c1cccs1)=O)C1C(C#N)=C(N)OC2=C1C(=O)Oc1ccccc12 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5255 |
| logD: | 3.5255 |
| logSw: | -3.9586 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.813 |
| InChI Key: | XSQXBGNSAQFCAY-HXUWFJFHSA-N |