(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(3-methylbutanamido)benzoate
Chemical Structure Depiction of
(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(3-methylbutanamido)benzoate
(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(3-methylbutanamido)benzoate
Compound characteristics
| Compound ID: | G357-0182 |
| Compound Name: | (2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(3-methylbutanamido)benzoate |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C19 H20 N4 O4 S |
| Smiles: | CC(C)CC(Nc1ccccc1C(=O)OCC1=CC(N2C(=N1)SC(C)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8253 |
| logD: | 2.7979 |
| logSw: | -3.5791 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.025 |
| InChI Key: | SYJFGXCQLGOAJC-UHFFFAOYSA-N |