HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 12831730Generated: November 4, 2026
[[1-(2-benzoyl-4-chlorophenyl)-5-[(dimethylamino)-methyl]-1H-1,2,4-triazol-3-yl]-methyl]-acetate
https://huagongshe.com/en/chemical/12831730
Identifiers & Physical Properties
| Molecular formula | C21H21ClN4O3 |
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| Average molar mass | 412.9 g/mol |
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| Monoisotopic mass | 412.1302182 g/mol |
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| SMILES | CC(=O)OCc1nc(CN(C)C)n(-c2ccc(Cl)cc2C(=O)c2ccccc2)n1 |
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| InChIKey | JIHFZEZCXCKWKP-UHFFFAOYSA-N |
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| PubChem CID | 12831730 |
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Chemical & Physical Properties
| XLogP | 3.2 |
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| Topological polar surface area | 77.3 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 29 |
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| Formal charge | 0 |
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| Complexity | 570 |
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![[[1-(2-benzoyl-4-chlorophenyl)-5-[(dimethylamino)-methyl]-1H-1,2,4-triazol-3-yl]-methyl]-acetate molecular structure](/img/chemical/12831730.png)