N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-4-fluorobenzamide
Chemical Structure Depiction of
N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-4-fluorobenzamide
N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-4-fluorobenzamide
Compound characteristics
| Compound ID: | G072-1118 |
| Compound Name: | N-(2-{[(2-ethyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-7-yl)methyl]sulfanyl}phenyl)-4-fluorobenzamide |
| Molecular Weight: | 440.52 |
| Molecular Formula: | C21 H17 F N4 O2 S2 |
| Smiles: | CCC1=NN2C(=NC(CSc3ccccc3NC(c3ccc(cc3)F)=O)=CC2=O)S1 |
| Stereo: | ACHIRAL |
| logP: | 3.9126 |
| logD: | 3.9083 |
| logSw: | -4.0573 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.568 |
| InChI Key: | TUJXJMUZHSGUBA-UHFFFAOYSA-N |