3-{[(6-chloro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazole
Chemical Structure Depiction of
3-{[(6-chloro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazole
3-{[(6-chloro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazole
Compound characteristics
| Compound ID: | 8013-7258 |
| Compound Name: | 3-{[(6-chloro-2H,4H-1,3-benzodioxin-8-yl)methyl]sulfanyl}-5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazole |
| Molecular Weight: | 425.89 |
| Molecular Formula: | C21 H16 Cl N3 O3 S |
| Smiles: | C1c2cc(cc(CSc3nnc(c4ccco4)n3c3ccccc3)c2OCO1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.6174 |
| logD: | 4.6174 |
| logSw: | -4.7914 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.18 |
| InChI Key: | IDTXLJZVIAKVEJ-UHFFFAOYSA-N |