(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-methylpropanamido)benzoate
Chemical Structure Depiction of
(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-methylpropanamido)benzoate
(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-methylpropanamido)benzoate
Compound characteristics
| Compound ID: | G357-3583 |
| Compound Name: | (5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(2-methylpropanamido)benzoate |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C20 H22 N4 O4 S |
| Smiles: | CCCC1=NN2C(=NC(COC(c3cccc(c3)NC(C(C)C)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.7893 |
| logD: | 3.7853 |
| logSw: | -3.9405 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.666 |
| InChI Key: | JYPFTYLOYWEHPC-UHFFFAOYSA-N |