N-(2-{[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide
Chemical Structure Depiction of
N-(2-{[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide
N-(2-{[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide
Compound characteristics
| Compound ID: | G072-1702 |
| Compound Name: | N-(2-{[(5-oxo-2-propyl-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)cyclohexanecarboxamide |
| Molecular Weight: | 442.6 |
| Molecular Formula: | C22 H26 N4 O2 S2 |
| Smiles: | CCCC1=NN2C(=NC(CSc3ccccc3NC(C3CCCCC3)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 4.6242 |
| logD: | 4.6222 |
| logSw: | -4.2745 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.76 |
| InChI Key: | OABNRMHREWUSHI-UHFFFAOYSA-N |