(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(3,4-dimethoxybenzamido)benzoate
Chemical Structure Depiction of
(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(3,4-dimethoxybenzamido)benzoate
(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(3,4-dimethoxybenzamido)benzoate
Compound characteristics
| Compound ID: | G357-0221 |
| Compound Name: | (2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(3,4-dimethoxybenzamido)benzoate |
| Molecular Weight: | 480.5 |
| Molecular Formula: | C23 H20 N4 O6 S |
| Smiles: | CC1=NN2C(=NC(COC(c3ccccc3NC(c3ccc(c(c3)OC)OC)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 2.8495 |
| logD: | 2.8092 |
| logSw: | -3.5359 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 96.227 |
| InChI Key: | JAGYAQKVWTWYNO-UHFFFAOYSA-N |