(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2H-1,3-benzodioxole-5-carbonyl)amino]benzoate
Chemical Structure Depiction of
(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2H-1,3-benzodioxole-5-carbonyl)amino]benzoate
(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2H-1,3-benzodioxole-5-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | G357-0640 |
| Compound Name: | (2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-[(2H-1,3-benzodioxole-5-carbonyl)amino]benzoate |
| Molecular Weight: | 478.48 |
| Molecular Formula: | C23 H18 N4 O6 S |
| Smiles: | CCC1=NN2C(=NC(COC(c3cccc(c3)NC(c3ccc4c(c3)OCO4)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.8346 |
| logD: | 3.8281 |
| logSw: | -4.0784 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 99.51 |
| InChI Key: | WCNQORNHNZDHBC-UHFFFAOYSA-N |