(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(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 3-[(thiophene-2-carbonyl)amino]benzoate
(2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(thiophene-2-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | G357-1085 |
| Compound Name: | (2-butyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(thiophene-2-carbonyl)amino]benzoate |
| Molecular Weight: | 468.55 |
| Molecular Formula: | C22 H20 N4 O4 S2 |
| Smiles: | CCCCC1=NN2C(=NC(COC(c3cccc(c3)NC(c3cccs3)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.801 |
| logD: | 4.8001 |
| logSw: | -4.6563 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.413 |
| InChI Key: | XYOABKNCXKQOEI-UHFFFAOYSA-N |