[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(2-methylpropanamido)benzoate
Chemical Structure Depiction of
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(2-methylpropanamido)benzoate
[5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(2-methylpropanamido)benzoate
Compound characteristics
| Compound ID: | G357-0263 |
| Compound Name: | [5-oxo-2-(propan-2-yl)-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl]methyl 4-(2-methylpropanamido)benzoate |
| Molecular Weight: | 414.48 |
| Molecular Formula: | C20 H22 N4 O4 S |
| Smiles: | CC(C)C1=NN2C(=NC(COC(c3ccc(cc3)NC(C(C)C)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.5261 |
| logD: | 3.5177 |
| logSw: | -3.7631 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.763 |
| InChI Key: | VBMPLXIDMATJOK-UHFFFAOYSA-N |