1-[5-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-(4-fluorophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Chemical Structure Depiction of
1-[5-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-(4-fluorophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
1-[5-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-(4-fluorophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F076-1363 |
| Compound Name: | 1-[5-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-(4-fluorophenyl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 473.53 |
| Molecular Formula: | C25 H20 F N5 O2 S |
| Smiles: | CC(N1C(c2ccc(cc2)F)OC(CSc2nnc(c3ccccc3)n2c2ccccc2)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9824 |
| logD: | 4.9822 |
| logSw: | -4.6716 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 60.143 |
| InChI Key: | KXQCGRZLGCYFTR-XMMPIXPASA-N |