HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 5259081Generated: November 4, 2026
9-Methyl-2-[(4-methylcyclohexyl)amino]-3-({3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one
https://huagongshe.com/en/chemical/5259081
Identifiers & Physical Properties
| CAS No. | 7026-77-9 |
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| Molecular formula | C28H30N4O2S2 |
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| Average molar mass | 518.7 g/mol |
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| Monoisotopic mass | 518.18101856 g/mol |
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| SMILES | Cc1ccc(CN2C(=O)C(=Cc3c(NC4CCC(C)CC4)nc4c(C)cccn4c3=O)SC2=S)cc1 |
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| InChIKey | CXBUXZYPDIDBPE-UHFFFAOYSA-N |
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| PubChem CID | 5259081 |
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| DTXSID | DTXSID70413860 |
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Chemical & Physical Properties
| XLogP | 5.7 |
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| Topological polar surface area | 122 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 36 |
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| Formal charge | 0 |
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| Complexity | 1,100 |
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![9-Methyl-2-[(4-methylcyclohexyl)amino]-3-({3-[(4-methylphenyl)methyl]-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene}methyl)-4H-pyrido[1,2-a]pyrimidin-4-one molecular structure](/img/chemical/5259081.png)