(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(3-methylbenzamido)benzoate
Chemical Structure Depiction of
(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(3-methylbenzamido)benzoate
(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(3-methylbenzamido)benzoate
Compound characteristics
| Compound ID: | G357-3678 |
| Compound Name: | (5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(3-methylbenzamido)benzoate |
| Molecular Weight: | 462.53 |
| Molecular Formula: | C24 H22 N4 O4 S |
| Smiles: | CCCC1=NN2C(=NC(COC(c3ccccc3NC(c3cccc(C)c3)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.5046 |
| logD: | 3.9754 |
| logSw: | -4.4196 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.697 |
| InChI Key: | KHMFRLIYNYLJES-UHFFFAOYSA-N |