2-({[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-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-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione
2-({[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | J047-0120 |
| Compound Name: | 2-({[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 416.46 |
| Molecular Formula: | C22 H16 N4 O3 S |
| Smiles: | C=CCn1c(c2cc3ccccc3o2)nnc1SCN1C(c2ccccc2C1=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4815 |
| logD: | 4.4815 |
| logSw: | -4.5159 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.165 |
| InChI Key: | XDOUBWUUIJYIHJ-UHFFFAOYSA-N |