HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67006604Generated: November 1, 2026
4-((1R,2S)-2-(tert-butyldimethylsilyloxy)-1-(5-phenyl-1,3,4-thiadiazol-2-yl)propyl amino)-2-chloro-3-methylbenzonitrile
https://huagongshe.com/en/chemical/67006604
Identifiers & Physical Properties
| Molecular formula | C25H31ClN4OSSi |
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| Average molar mass | 499.1 g/mol |
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| Monoisotopic mass | 498.167637 g/mol |
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| SMILES | Cc1c(N[C@@H](c2nnc(-c3ccccc3)s2)[C@H](C)O[Si](C)(C)C(C)(C)C)ccc(C#N)c1Cl |
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| InChIKey | LXDRARAXBLFXGK-HTAPYJJXSA-N |
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| PubChem CID | 67006604 |
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Chemical & Physical Properties
| Topological polar surface area | 99.1 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 33 |
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| Formal charge | 0 |
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| Complexity | 690 |
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