[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-pentanamidobenzoate
Chemical Structure Depiction of
[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-pentanamidobenzoate
[2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-pentanamidobenzoate
Compound characteristics
| Compound ID: | G357-3999 |
| Compound Name: | [2-(2-ethoxyethyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-pentanamidobenzoate |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C22 H26 N4 O5 S |
| Smiles: | CCCCC(Nc1ccc(cc1)C(=O)OCC1=CC(N2C(=N1)SC(CCOCC)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3209 |
| logD: | 3.3201 |
| logSw: | -3.6465 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.43 |
| InChI Key: | YINHGJKMQUXDLB-UHFFFAOYSA-N |