N-(2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide
Chemical Structure Depiction of
N-(2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide
N-(2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide
Compound characteristics
| Compound ID: | G072-1533 |
| Compound Name: | N-(2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide |
| Molecular Weight: | 482.67 |
| Molecular Formula: | C25 H30 N4 O2 S2 |
| Smiles: | C1CCC(CC1)C1=NN2C(=NC(CSc3ccccc3NC(C3CCCCC3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.5328 |
| logD: | 5.5327 |
| logSw: | -5.5852 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.777 |
| InChI Key: | MERQGOHZTHFMGO-UHFFFAOYSA-N |