methyl [5-amino-6-cyano-7-(4-methoxyphenyl)-8-(methylcarbamoyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate
Chemical Structure Depiction of
methyl [5-amino-6-cyano-7-(4-methoxyphenyl)-8-(methylcarbamoyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate
methyl [5-amino-6-cyano-7-(4-methoxyphenyl)-8-(methylcarbamoyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate
Compound characteristics
Compound ID: | Y010-0984 |
Compound Name: | methyl [5-amino-6-cyano-7-(4-methoxyphenyl)-8-(methylcarbamoyl)-3-oxo-2,3-dihydro-7H-[1,3]thiazolo[3,2-a]pyridin-2-yl]acetate |
Molecular Weight: | 428.47 |
Molecular Formula: | C20 H20 N4 O5 S |
Smiles: | CNC(C1C(C(C#N)=C(N)N2C=1SC(CC(=O)OC)C2=O)c1ccc(cc1)OC)=O |
Stereo: | MIXTURE OF STEREOISOMERS |
logP: | 0.4478 |
logD: | 0.4478 |
logSw: | -2.0274 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 3 |
Polar surface area: | 106.575 |
InChI Key: | NJTUAMQBENHOHS-UHFFFAOYSA-N |