1-[5-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-(thiophen-2-yl)-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-(thiophen-2-yl)-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-(thiophen-2-yl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one
Compound characteristics
| Compound ID: | F076-1369 |
| Compound Name: | 1-[5-{[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-2-(thiophen-2-yl)-1,3,4-oxadiazol-3(2H)-yl]ethan-1-one |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C23 H19 N5 O2 S2 |
| Smiles: | CC(N1C(c2cccs2)OC(CSc2nnc(c3ccccc3)n2c2ccccc2)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5471 |
| logD: | 4.5469 |
| logSw: | -4.3676 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.161 |
| InChI Key: | NBVFUHSIVDFEHX-QFIPXVFZSA-N |