(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(cyclohexanecarbonyl)amino]benzoate
Chemical Structure Depiction of
(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(cyclohexanecarbonyl)amino]benzoate
(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(cyclohexanecarbonyl)amino]benzoate
Compound characteristics
Compound ID: | G357-1183 |
Compound Name: | (2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(cyclohexanecarbonyl)amino]benzoate |
Molecular Weight: | 468.57 |
Molecular Formula: | C24 H28 N4 O4 S |
Smiles: | CCCCC1=NN2C(=NC(COC(c3ccccc3NC(C3CCCCC3)=O)=O)=CC2=O)S1 |
Stereo: | ACHIRAL |
logP: | 4.7767 |
logD: | 4.7368 |
logSw: | -4.6469 |
Hydrogen bond acceptors count: | 10 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 81.889 |
InChI Key: | CKHGQBOYEXSKHY-UHFFFAOYSA-N |