5-amino-7-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
Chemical Structure Depiction of
5-amino-7-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
5-amino-7-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile
Compound characteristics
Compound ID: | 8009-4945 |
Compound Name: | 5-amino-7-(3,4-dimethoxyphenyl)-2-[(3,4-dimethoxyphenyl)methylidene]-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridine-6,8-dicarbonitrile |
Molecular Weight: | 502.55 |
Molecular Formula: | C26 H22 N4 O5 S |
Smiles: | COc1ccc(/C=C2/C(N3C(=C(C#N)C(C(C#N)=C3S2)c2ccc(c(c2)OC)OC)N)=O)cc1OC |
Stereo: | RACEMIC MIXTURE |
logP: | 2.585 |
logD: | 2.585 |
logSw: | -3.0093 |
Hydrogen bond acceptors count: | 9 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 100.924 |
InChI Key: | PSFBKMLCBXEIPM-QHCPKHFHSA-N |