(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(4-methylbenzamido)benzoate
Chemical Structure Depiction of
(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(4-methylbenzamido)benzoate
(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(4-methylbenzamido)benzoate
Compound characteristics
| Compound ID: | G357-0589 |
| Compound Name: | (2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-(4-methylbenzamido)benzoate |
| Molecular Weight: | 448.5 |
| Molecular Formula: | C23 H20 N4 O4 S |
| Smiles: | CCC1=NN2C(=NC(COC(c3cccc(c3)NC(c3ccc(C)cc3)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.3356 |
| logD: | 4.3288 |
| logSw: | -4.3675 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.395 |
| InChI Key: | BQBPLBHHVRNJBD-UHFFFAOYSA-N |