(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-ethylbutanamido)benzoate
Chemical Structure Depiction of
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-ethylbutanamido)benzoate
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-ethylbutanamido)benzoate
Compound characteristics
| Compound ID: | G357-2431 |
| Compound Name: | (2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl 2-(2-ethylbutanamido)benzoate |
| Molecular Weight: | 482.6 |
| Molecular Formula: | C25 H30 N4 O4 S |
| Smiles: | CCC(CC)C(Nc1ccccc1C(=O)OCC1=CC(N2C(=N1)SC(C1CCCCC1)=N2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1309 |
| logD: | 5.0918 |
| logSw: | -4.8686 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.985 |
| InChI Key: | VMFNCZKEHDGFSJ-UHFFFAOYSA-N |