5-{[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-phenyl-1,2,4-oxadiazole
Chemical Structure Depiction of
5-{[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-phenyl-1,2,4-oxadiazole
5-{[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-phenyl-1,2,4-oxadiazole
Compound characteristics
Compound ID: | 8017-8525 |
Compound Name: | 5-{[(5-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}-3-phenyl-1,2,4-oxadiazole |
Molecular Weight: | 485.52 |
Molecular Formula: | C25 H19 N5 O4 S |
Smiles: | C(c1nnc(n1c1ccccc1)SCc1nc(c2ccccc2)no1)Oc1ccc2c(c1)OCO2 |
Stereo: | ACHIRAL |
logP: | 4.8636 |
logD: | 4.8636 |
logSw: | -4.9666 |
Hydrogen bond acceptors count: | 9 |
Polar surface area: | 81.646 |
InChI Key: | BCHDXXZCMXVNRD-UHFFFAOYSA-N |