HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 71006841Generated: October 23, 2026
(1aRS,7bSR)-5-{2-[((S)-1-azabicyclo[2.2.2]oct-3-yl)amino]benzenesulfonylamino}-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid
https://huagongshe.com/en/chemical/71006841
Identifiers & Physical Properties
| Molecular formula | C24H27N3O5S |
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| Average molar mass | 469.6 g/mol |
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| SMILES | O=C(O)c1c(NS(=O)(=O)c2ccccc2N[C@@H]2CN3CCC2CC3)ccc2c1OCC1CC21 |
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| InChIKey | BJERFOTWYWVBHU-MKJPBZQASA-N |
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| PubChem CID | 71006841 |
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Chemical & Physical Properties
| XLogP | 1.6 |
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| Topological polar surface area | 116 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 33 |
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| Formal charge | 0 |
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| Complexity | 855 |
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![(1aRS,7bSR)-5-{2-[((S)-1-azabicyclo[2.2.2]oct-3-yl)amino]benzenesulfonylamino}-1,1a,2,7b-tetrahydrocyclopropa[c]chromene-4-carboxylic acid molecular structure](/img/chemical/71006841.png)