HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 68488708Generated: October 28, 2026
(1R,2R)-2-{[3-{[[((3R,4S)-1-(tert-Butoxycarbonyl)-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidin-3-yl)carbonyl](cyclopropyl)amino]methyl}-5-(3-methoxypropyl)phenoxy]methyl}cyclopropanecarboxylic Acid
https://huagongshe.com/en/chemical/68488708
Identifiers & Physical Properties
| Molecular formula | C45H56Cl2N2O9 |
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| Average molar mass | 839.8 g/mol |
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| SMILES | COCCCc1cc(CN(C(=O)[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2ccc(OCCOc3c(Cl)cc(C)cc3Cl)cc2)C2CC2)cc(OC[C@@H]2C[C@H]2C(=O)O)c1 |
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| InChIKey | HNEXAHUFCCTHHA-NUINCWHASA-N |
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| PubChem CID | 68488708 |
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Chemical & Physical Properties
| XLogP | 8.1 |
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| Topological polar surface area | 124 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 9 |
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| Rotatable bonds | 20 |
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| Heavy atoms | 58 |
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| Formal charge | 0 |
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| Complexity | 1,330 |
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![(1R,2R)-2-{[3-{[[((3R,4S)-1-(tert-Butoxycarbonyl)-4-{4-[2-(2,6-dichloro-4-methylphenoxy)ethoxy]phenyl}piperidin-3-yl)carbonyl](cyclopropyl)amino]methyl}-5-(3-methoxypropyl)phenoxy]methyl}cyclopropanecarboxylic Acid molecular structure](/img/chemical/68488708.png)