[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-pentanamidobenzoate
Chemical Structure Depiction of
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-pentanamidobenzoate
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-pentanamidobenzoate
Compound characteristics
| Compound ID: | G357-0928 |
| Compound Name: | [2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 2-pentanamidobenzoate |
| Molecular Weight: | 442.54 |
| Molecular Formula: | C22 H26 N4 O4 S |
| Smiles: | CCCCC(Nc1ccccc1C(=O)OCC1=CC(N2C(=N1)SC(CC(C)C)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9328 |
| logD: | 3.916 |
| logSw: | -4.0444 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.755 |
| InChI Key: | RLSXSNHVVKCPQT-UHFFFAOYSA-N |