N-(2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2-fluorobenzamide
Chemical Structure Depiction of
N-(2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2-fluorobenzamide
N-(2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2-fluorobenzamide
Compound characteristics
| Compound ID: | G072-1537 |
| Compound Name: | N-(2-{[(2-cyclohexyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-2-fluorobenzamide |
| Molecular Weight: | 494.61 |
| Molecular Formula: | C25 H23 F N4 O2 S2 |
| Smiles: | C1CCC(CC1)C1=NN2C(=NC(CSc3ccccc3NC(c3ccccc3F)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 5.3119 |
| logD: | 5.3107 |
| logSw: | -5.3339 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.585 |
| InChI Key: | KDZDZOSSLOTMIW-UHFFFAOYSA-N |