HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 67325213Generated: October 27, 2026
7-(3-benzyloxy-benzenesulfonyl)-3,4,4a,9a-tetrahydro-1H-benzo[4,5]furo[2,3-c]pyridine-2-carboxylic acid tert-butyl ester
https://huagongshe.com/en/chemical/67325213
Identifiers & Physical Properties
| Molecular formula | C29H31NO6S |
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| Average molar mass | 521.6 g/mol |
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| Monoisotopic mass | 521.18720888 g/mol |
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| SMILES | CC(C)(C)OC(=O)N1CCC2c3ccc(S(=O)(=O)c4cccc(OCc5ccccc5)c4)cc3OC2C1 |
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| InChIKey | MCROZQXGKKTUHV-UHFFFAOYSA-N |
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| PubChem CID | 67325213 |
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Chemical & Physical Properties
| XLogP | 5.1 |
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| Topological polar surface area | 90.5 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 37 |
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| Formal charge | 0 |
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| Complexity | 889 |
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![7-(3-benzyloxy-benzenesulfonyl)-3,4,4a,9a-tetrahydro-1H-benzo[4,5]furo[2,3-c]pyridine-2-carboxylic acid tert-butyl ester molecular structure](/img/chemical/67325213.png)