[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-(4-ethoxybenzamido)benzoate
Chemical Structure Depiction of
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-(4-ethoxybenzamido)benzoate
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-(4-ethoxybenzamido)benzoate
Compound characteristics
| Compound ID: | G357-0484 |
| Compound Name: | [5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-(4-ethoxybenzamido)benzoate |
| Molecular Weight: | 492.55 |
| Molecular Formula: | C25 H24 N4 O5 S |
| Smiles: | CCOc1ccc(cc1)C(Nc1ccccc1C(=O)OCC1=CC(N2C(=N1)SC(C(C)C)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4199 |
| logD: | 4.2836 |
| logSw: | -4.3258 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.917 |
| InChI Key: | ZFKKJGJSQWWBEC-UHFFFAOYSA-N |