(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-pentanamidobenzoate
Chemical Structure Depiction of
(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-pentanamidobenzoate
(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-pentanamidobenzoate
Compound characteristics
| Compound ID: | G357-1426 |
| Compound Name: | (2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-pentanamidobenzoate |
| Molecular Weight: | 426.49 |
| Molecular Formula: | C21 H22 N4 O4 S |
| Smiles: | CCCCC(Nc1ccccc1C(=O)OCC1=CC(N2C(=N1)SC(C1CC1)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3363 |
| logD: | 3.3149 |
| logSw: | -3.7844 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.103 |
| InChI Key: | LLXAQYRNCLFISV-UHFFFAOYSA-N |