(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl [(4-chlorophenyl)sulfanyl]acetate
Chemical Structure Depiction of
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl [(4-chlorophenyl)sulfanyl]acetate
(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl [(4-chlorophenyl)sulfanyl]acetate
Compound characteristics
| Compound ID: | G265-0592 |
| Compound Name: | (2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl [(4-chlorophenyl)sulfanyl]acetate |
| Molecular Weight: | 449.98 |
| Molecular Formula: | C20 H20 Cl N3 O3 S2 |
| Smiles: | C1CCC(CC1)C1=NN2C(=NC(COC(CSc3ccc(cc3)[Cl])=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.0634 |
| logD: | 5.0633 |
| logSw: | -5.1639 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 58.726 |
| InChI Key: | JKINWEPEMULVKW-UHFFFAOYSA-N |