2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide
Compound characteristics
| Compound ID: | J047-0330 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1,3-dimethyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl)acetamide |
| Molecular Weight: | 474.54 |
| Molecular Formula: | C24 H22 N6 O3 S |
| Smiles: | CN1C(N(C)c2cc(ccc12)NC(CSc1nnc(c2cc3ccccc3o2)n1CC=C)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.123 |
| logD: | 4.123 |
| logSw: | -4.2229 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.346 |
| InChI Key: | PIHWLKQGIHJEJH-UHFFFAOYSA-N |