HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 1069482Generated: November 2, 2026
N-((Furan-2-yl)methyl)-2-((4-phenyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)sulfanyl)acetamide
https://huagongshe.com/en/chemical/1069482
Identifiers & Physical Properties
| CAS No. | 6079-72-7 |
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| Molecular formula | C20H17N5O2S |
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| Average molar mass | 391.4 g/mol |
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| Monoisotopic mass | 391.11029598 g/mol |
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| SMILES | O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)NCc1ccco1 |
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| InChIKey | DAAQKDNTWHJYNF-UHFFFAOYSA-N |
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| PubChem CID | 1069482 |
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| DTXSID | DTXSID40360039 |
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Chemical & Physical Properties
| XLogP | 2.5 |
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| Topological polar surface area | 111 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 28 |
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| Formal charge | 0 |
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| Complexity | 499 |
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