2-{[5-(2H-1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Chemical Structure Depiction of
2-{[5-(2H-1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
2-{[5-(2H-1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one
Compound characteristics
| Compound ID: | G856-2619 |
| Compound Name: | 2-{[5-(2H-1,3-benzodioxol-5-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-phenylethan-1-one |
| Molecular Weight: | 415.47 |
| Molecular Formula: | C23 H17 N3 O3 S |
| Smiles: | C1Oc2ccc(cc2O1)c1nnc(n1c1ccccc1)SCC(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6088 |
| logD: | 4.6088 |
| logSw: | -4.6314 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 55.075 |
| InChI Key: | XZTIPEJXNTWQCR-UHFFFAOYSA-N |