HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 136148564Generated: October 29, 2026
5-Hydroxy-6-isopropyl-2-(3-methyl-butyl)-4-(7-nitro-1,1-dioxo-1,4-dihydro-1lambda6-benzo[1,2,4]thiadiazin-3-yl)-2H-pyridazin-3-one
https://huagongshe.com/en/chemical/136148564
Identifiers & Physical Properties
| Molecular formula | C19H23N5O6S |
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| Average molar mass | 449.5 g/mol |
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| Monoisotopic mass | 449.13690464 g/mol |
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| SMILES | CC(C)CCn1nc(C(C)C)c(O)c(C2=NS(=O)(=O)c3cc([N+](=O)[O-])ccc3N2)c1=O |
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| InChIKey | AAKYEJRVMMYPBA-UHFFFAOYSA-N |
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| PubChem CID | 136148564 |
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Chemical & Physical Properties
| XLogP | 2.5 |
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| Topological polar surface area | 166 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 31 |
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| Formal charge | 0 |
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| Complexity | 957 |
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![5-Hydroxy-6-isopropyl-2-(3-methyl-butyl)-4-(7-nitro-1,1-dioxo-1,4-dihydro-1lambda6-benzo[1,2,4]thiadiazin-3-yl)-2H-pyridazin-3-one molecular structure](/img/chemical/136148564.png)