(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-[(furan-2-carbonyl)amino]benzoate
Chemical Structure Depiction of
(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-[(furan-2-carbonyl)amino]benzoate
(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-[(furan-2-carbonyl)amino]benzoate
Compound characteristics
Compound ID: | G357-1003 |
Compound Name: | (2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-[(furan-2-carbonyl)amino]benzoate |
Molecular Weight: | 452.49 |
Molecular Formula: | C22 H20 N4 O5 S |
Smiles: | CCCCC1=NN2C(=NC(COC(c3ccc(cc3)NC(c3ccco3)=O)=O)=CC2=O)S1 |
Stereo: | ACHIRAL |
logP: | 3.9804 |
logD: | 3.9783 |
logSw: | -4.0874 |
Hydrogen bond acceptors count: | 11 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 90.973 |
InChI Key: | ZQJWDCTZLNQTJN-UHFFFAOYSA-N |