(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl (phenylsulfanyl)acetate
Chemical Structure Depiction of
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl (phenylsulfanyl)acetate
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl (phenylsulfanyl)acetate
Compound characteristics
| Compound ID: | G265-0590 |
| Compound Name: | (2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl (phenylsulfanyl)acetate |
| Molecular Weight: | 415.53 |
| Molecular Formula: | C20 H21 N3 O3 S2 |
| Smiles: | C1CCC(CC1)C1=NN2C(=NC(COC(CSc3ccccc3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.2837 |
| logD: | 4.2836 |
| logSw: | -4.2859 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.726 |
| InChI Key: | HYSYRUBZOHYLOR-UHFFFAOYSA-N |