(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-butanamidobenzoate
Chemical Structure Depiction of
(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-butanamidobenzoate
(2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-butanamidobenzoate
Compound characteristics
| Compound ID: | G357-1424 |
| Compound Name: | (2-cyclopropyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-butanamidobenzoate |
| Molecular Weight: | 412.47 |
| Molecular Formula: | C20 H20 N4 O4 S |
| Smiles: | CCCC(Nc1ccccc1C(=O)OCC1=CC(N2C(=N1)SC(C1CC1)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0029 |
| logD: | 2.9816 |
| logSw: | -3.5819 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.103 |
| InChI Key: | AEOZSUSUZNJDQF-UHFFFAOYSA-N |