[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(2-ethylbutanamido)benzoate
Chemical Structure Depiction of
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(2-ethylbutanamido)benzoate
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(2-ethylbutanamido)benzoate
Compound characteristics
| Compound ID: | G357-0771 |
| Compound Name: | [2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(2-ethylbutanamido)benzoate |
| Molecular Weight: | 456.56 |
| Molecular Formula: | C23 H28 N4 O4 S |
| Smiles: | CCC(CC)C(Nc1ccc(cc1)C(=O)OCC1=CC(N2C(=N1)SC(CC(C)C)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5659 |
| logD: | 4.5629 |
| logSw: | -4.3571 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.666 |
| InChI Key: | HCRXNOGXBRHHQM-UHFFFAOYSA-N |