4-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)-2,6-dimethoxyphenyl morpholine-4-carboxylate
Chemical Structure Depiction of
4-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)-2,6-dimethoxyphenyl morpholine-4-carboxylate
4-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)-2,6-dimethoxyphenyl morpholine-4-carboxylate
Compound characteristics
Compound ID: | K638-0110 |
Compound Name: | 4-(2-amino-3-cyano-5-oxo-4H,5H-pyrano[3,2-c][1]benzopyran-4-yl)-2,6-dimethoxyphenyl morpholine-4-carboxylate |
Molecular Weight: | 505.48 |
Molecular Formula: | C26 H23 N3 O8 |
Smiles: | COc1cc(cc(c1OC(N1CCOCC1)=O)OC)C1C(C#N)=C(N)OC2=C1C(=O)Oc1ccccc12 |
Stereo: | RACEMIC MIXTURE |
logP: | 2.068 |
logD: | 2.068 |
logSw: | -3.0815 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 113.639 |
InChI Key: | HECFVDLXYKOMFQ-HXUWFJFHSA-N |