[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-butanamidobenzoate
Chemical Structure Depiction of
[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-butanamidobenzoate
[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-butanamidobenzoate
Compound characteristics
| Compound ID: | G357-4163 |
| Compound Name: | [2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-butanamidobenzoate |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C21 H24 N4 O5 S |
| Smiles: | CCCC(Nc1ccccc1C(=O)OCC1=CC(N2C(=N1)SC(CCOCC)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6544 |
| logD: | 2.6394 |
| logSw: | -3.353 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.732 |
| InChI Key: | JYRLEDGSMAEVJT-UHFFFAOYSA-N |