(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(thiophene-2-carbonyl)amino]benzoate
Chemical Structure Depiction of
(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(thiophene-2-carbonyl)amino]benzoate
(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(thiophene-2-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | G357-1168 |
| Compound Name: | (2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-[(thiophene-2-carbonyl)amino]benzoate |
| Molecular Weight: | 468.55 |
| Molecular Formula: | C22 H20 N4 O4 S2 |
| Smiles: | CCCCC1=NN2C(=NC(COC(c3ccccc3NC(c3cccs3)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.4855 |
| logD: | 4.4482 |
| logSw: | -4.4494 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.715 |
| InChI Key: | AZHSGZQUJCMWGA-UHFFFAOYSA-N |