2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(butan-2-yl)acetamide
Chemical Structure Depiction of
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(butan-2-yl)acetamide
2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(butan-2-yl)acetamide
Compound characteristics
| Compound ID: | J047-0470 |
| Compound Name: | 2-{[5-(1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(butan-2-yl)acetamide |
| Molecular Weight: | 344.43 |
| Molecular Formula: | C17 H20 N4 O2 S |
| Smiles: | CCC(C)NC(CSc1nnc(c2cc3ccccc3o2)n1C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9979 |
| logD: | 2.9979 |
| logSw: | -3.5097 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.528 |
| InChI Key: | LCSPTKNRFLHCRG-NSHDSACASA-N |