HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 178497145Generated: November 3, 2026
methyl 3-[2,3-dihydro-1,4-benzodioxin-6-yl-[4-[(4-methylpiperazin-1-yl)methyl]anilino]methylidene]-2-oxo-1H-indole-6-carboxylate
https://huagongshe.com/en/chemical/178497145
Identifiers & Physical Properties
| Molecular formula | C31H32N4O5 |
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| Average molar mass | 540.6 g/mol |
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| Monoisotopic mass | 540.23727013 g/mol |
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| SMILES | COC(=O)c1ccc2c(c1)NC(=O)C2=C(Nc1ccc(CN2CCN(C)CC2)cc1)c1ccc2c(c1)OCCO2 |
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| InChIKey | ISQFIECKXMSFOU-UHFFFAOYSA-N |
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| PubChem CID | 68846222 |
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Chemical & Physical Properties
| XLogP | 3.4 |
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| Topological polar surface area | 92.4 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 40 |
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| Formal charge | 0 |
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| Complexity | 942 |
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![methyl 3-[2,3-dihydro-1,4-benzodioxin-6-yl-[4-[(4-methylpiperazin-1-yl)methyl]anilino]methylidene]-2-oxo-1H-indole-6-carboxylate molecular structure](/img/chemical/178497145.png)