HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 66719829Generated: October 27, 2026
(3S,8S)-3-[4-(2-cyclopentyl-ethoxy)-phenyl]-7-((S)-1-phenyl-propyl)-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline-8-carboxylic acid
https://huagongshe.com/en/chemical/66719829
Identifiers & Physical Properties
| Molecular formula | C34H39NO5 |
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| Average molar mass | 541.7 g/mol |
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| SMILES | CC[C@@H](c1ccccc1)N1Cc2cc3c(cc2C[C@H]1C(=O)O)OC[C@H](c1ccc(OCCC2CCCC2)cc1)O3 |
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| InChIKey | KFQVTRLADFPXKR-WSZLSEGOSA-N |
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| PubChem CID | 66719829 |
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Chemical & Physical Properties
| XLogP | 5.3 |
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| Topological polar surface area | 68.2 |
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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 | 40 |
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| Formal charge | 0 |
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| Complexity | 802 |
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![(3S,8S)-3-[4-(2-cyclopentyl-ethoxy)-phenyl]-7-((S)-1-phenyl-propyl)-2,3,6,7,8,9-hexahydro-[1,4]dioxino[2,3-g]isoquinoline-8-carboxylic acid molecular structure](/img/chemical/66719829.png)