N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-methyl-N~2~-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)glycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-methyl-N~2~-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)glycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-methyl-N~2~-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)glycinamide
Compound characteristics
| Compound ID: | C885-4350 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-methyl-N~2~-(5-oxo-7-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)glycinamide |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C19 H21 N5 O4 S |
| Smiles: | CCCC1=CC(N2C(=N1)SC(=N2)N(C)CC(NCc1ccc2c(c1)OCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3007 |
| logD: | 1.9664 |
| logSw: | -2.9887 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.667 |
| InChI Key: | PDFBMTCDQNHZFU-UHFFFAOYSA-N |