2-({[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-({[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione
2-({[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | J047-0151 |
| Compound Name: | 2-({[5-(1-benzofuran-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 452.49 |
| Molecular Formula: | C25 H16 N4 O3 S |
| Smiles: | C(N1C(c2ccccc2C1=O)=O)Sc1nnc(c2cc3ccccc3o2)n1c1ccccc1 |
| Stereo: | ACHIRAL |
| logP: | 5.1063 |
| logD: | 5.1063 |
| logSw: | -5.8726 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.658 |
| InChI Key: | TZGRDPUCMNFZKY-UHFFFAOYSA-N |