HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 21025035Generated: November 4, 2026
4-(4-{2-[1-(Carboxymethyl-carbamoyl)-1-methyl-ethoxy]-phenoxy}-phenylamino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid methyl ester
https://huagongshe.com/en/chemical/21025035
Identifiers & Physical Properties
| Molecular formula | C29H27N5O7 |
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| Average molar mass | 557.6 g/mol |
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| SMILES | COC(=O)c1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4OC(C)(C)C(=O)NCC(=O)O)cc3)c2c1C |
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| InChIKey | JBBUEXINVCLQPG-UHFFFAOYSA-N |
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| PubChem CID | 21025035 |
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Chemical & Physical Properties
| XLogP | 4.1 |
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| Topological polar surface area | 164 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 10 |
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| Rotatable bonds | 11 |
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| Heavy atoms | 41 |
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| Formal charge | 0 |
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| Complexity | 991 |
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![4-(4-{2-[1-(Carboxymethyl-carbamoyl)-1-methyl-ethoxy]-phenoxy}-phenylamino)-3-cyano-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid methyl ester molecular structure](/img/chemical/21025035.png)