[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-propanamidobenzoate
Chemical Structure Depiction of
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-propanamidobenzoate
[2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-propanamidobenzoate
Compound characteristics
| Compound ID: | G357-0842 |
| Compound Name: | [2-(2-methylpropyl)-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 3-propanamidobenzoate |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C20 H22 N4 O4 S |
| Smiles: | CCC(Nc1cccc(c1)C(=O)OCC1=CC(N2C(=N1)SC(CC(C)C)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.636 |
| logD: | 3.6335 |
| logSw: | -3.9379 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.453 |
| InChI Key: | VMHNSQAZAGOODM-UHFFFAOYSA-N |