(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(3-methylbutanamido)benzoate
Chemical Structure Depiction of
(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(3-methylbutanamido)benzoate
(2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(3-methylbutanamido)benzoate
Compound characteristics
| Compound ID: | G357-0016 |
| Compound Name: | (2-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 4-(3-methylbutanamido)benzoate |
| Molecular Weight: | 400.45 |
| Molecular Formula: | C19 H20 N4 O4 S |
| Smiles: | CC(C)CC(Nc1ccc(cc1)C(=O)OCC1=CC(N2C(=N1)SC(C)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1585 |
| logD: | 3.1531 |
| logSw: | -3.3855 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.723 |
| InChI Key: | FGNZJPRMPMXGDU-UHFFFAOYSA-N |