2-({[5-(1-benzofuran-2-yl)-4-ethyl-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-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione
2-({[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | J047-0078 |
| Compound Name: | 2-({[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 404.45 |
| Molecular Formula: | C21 H16 N4 O3 S |
| Smiles: | CCn1c(c2cc3ccccc3o2)nnc1SCN1C(c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2697 |
| logD: | 4.2697 |
| logSw: | -4.3063 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 59.911 |
| InChI Key: | ATIDJIDSAKWDCF-UHFFFAOYSA-N |