(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-ethylbutanamido)benzoate
Chemical Structure Depiction of
(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-ethylbutanamido)benzoate
(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-ethylbutanamido)benzoate
Compound characteristics
| Compound ID: | G357-3676 |
| Compound Name: | (5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-ethylbutanamido)benzoate |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C22 H26 N4 O4 S |
| Smiles: | CCCC1=NN2C(=NC(COC(c3ccccc3NC(C(CC)CC)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.2223 |
| logD: | 4.1792 |
| logSw: | -4.3066 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.968 |
| InChI Key: | NIQCCOGSFYUEOV-UHFFFAOYSA-N |