HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 11684124Generated: November 4, 2026
4-Chloro-2-(4-formyl-piperazin-1-yl)-6-methyl-10,10-dioxo-10,11-dihydro-5-oxa-10lambda*6*-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester
https://huagongshe.com/en/chemical/11684124
Identifiers & Physical Properties
| Molecular formula | C21H21ClN2O6S |
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| Average molar mass | 464.9 g/mol |
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| Monoisotopic mass | 464.0808853 g/mol |
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| SMILES | COC(=O)c1cc(C)c2c(c1)S(=O)(=O)Cc1cc(N3CCN(C=O)CC3)cc(Cl)c1O2 |
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| InChIKey | ACOUZDSBUPCLBY-UHFFFAOYSA-N |
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| PubChem CID | 11684124 |
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Chemical & Physical Properties
| XLogP | 2.5 |
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| Topological polar surface area | 102 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 31 |
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| Formal charge | 0 |
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| Complexity | 781 |
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![4-Chloro-2-(4-formyl-piperazin-1-yl)-6-methyl-10,10-dioxo-10,11-dihydro-5-oxa-10lambda*6*-thia-dibenzo[a,d]cycloheptene-8-carboxylic acid methyl ester molecular structure](/img/chemical/11684124.png)