3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-5-{[(1,2-oxazol-3-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-5-{[(1,2-oxazol-3-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-5-{[(1,2-oxazol-3-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8019-0631 |
| Compound Name: | 3-{[(2H-1,3-benzodioxol-5-yl)oxy]methyl}-5-{[(1,2-oxazol-3-yl)methyl]sulfanyl}-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 408.43 |
| Molecular Formula: | C20 H16 N4 O4 S |
| Smiles: | C(c1nnc(n1c1ccccc1)SCc1ccon1)Oc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 3.3004 |
| logD: | 3.3004 |
| logSw: | -3.4972 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.94 |
| InChI Key: | PPKQRNJNBHBVTD-UHFFFAOYSA-N |