HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 59190822Generated: October 27, 2026
6-(3-{[(3,4-dimethoxy-benzoyl)-methyl-amino]-methyl}-benzoylamino)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester
https://huagongshe.com/en/chemical/59190822
Identifiers & Physical Properties
| Molecular formula | C32H37N3O6 |
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| Average molar mass | 559.7 g/mol |
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| Monoisotopic mass | 559.26823591 g/mol |
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| SMILES | COc1ccc(C(=O)N(C)Cc2cccc(C(=O)Nc3ccc4c(c3)CCN(C(=O)OC(C)(C)C)C4)c2)cc1OC |
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| InChIKey | GKXFGJBEVOJDMD-UHFFFAOYSA-N |
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| PubChem CID | 59190822 |
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Chemical & Physical Properties
| XLogP | 4.4 |
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| Topological polar surface area | 97.4 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 9 |
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| Heavy atoms | 41 |
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| Formal charge | 0 |
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| Complexity | 906 |
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![6-(3-{[(3,4-dimethoxy-benzoyl)-methyl-amino]-methyl}-benzoylamino)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid tert-butyl ester molecular structure](/img/chemical/59190822.png)