(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-pentanamidobenzoate
Chemical Structure Depiction of
(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-pentanamidobenzoate
(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-pentanamidobenzoate
Compound characteristics
| Compound ID: | G357-3584 |
| Compound Name: | (5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 3-pentanamidobenzoate |
| Molecular Weight: | 428.51 |
| Molecular Formula: | C21 H24 N4 O4 S |
| Smiles: | CCCCC(Nc1cccc(c1)C(=O)OCC1=CC(N2C(=N1)SC(CCC)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1376 |
| logD: | 4.1336 |
| logSw: | -4.2391 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.453 |
| InChI Key: | BWHHHOBIIHUTTR-UHFFFAOYSA-N |