(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Chemical Structure Depiction of
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
Compound characteristics
| Compound ID: | G265-0619 |
| Compound Name: | (2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C22 H20 N4 O5 S |
| Smiles: | C1CCC(CC1)C1=NN2C(=NC(COC(CN3C(c4ccccc4C3=O)=O)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.0629 |
| logD: | 3.0627 |
| logSw: | -3.4938 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 88.25 |
| InChI Key: | RNGXRPPBJMDOSB-UHFFFAOYSA-N |