4-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)-2-ethoxyphenyl 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-ethoxyphenyl thiophene-2-carboxylate
4-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)-2-ethoxyphenyl thiophene-2-carboxylate
Compound characteristics
Compound ID: | K638-0128 |
Compound Name: | 4-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)-2-ethoxyphenyl thiophene-2-carboxylate |
Molecular Weight: | 486.5 |
Molecular Formula: | C26 H18 N2 O6 S |
Smiles: | CCOc1cc(ccc1OC(c1cccs1)=O)C1C(C#N)=C(N)OC2=C1C(=O)Oc1ccccc12 |
Stereo: | RACEMIC MIXTURE |
logP: | 3.6711 |
logD: | 3.6711 |
logSw: | -4.0839 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 96.393 |
InChI Key: | JSMHPUXGKHOZIB-OAQYLSRUSA-N |