HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 123783014Generated: November 2, 2026
Methyl (2S)-2-(tert-butoxy)-2-[4,23-dimethyl-11,22-dioxa-1,5,7,8-tetraazapentacyclo[21.2.2.16,9.02,7.013,18]octacosa-2,4,6(28),8,13(18),14,16,19-octaen-3-yl]acetate
https://huagongshe.com/en/chemical/123783014
Identifiers & Physical Properties
| Molecular formula | C31H40N4O5 |
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| Average molar mass | 548.7 g/mol |
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| Monoisotopic mass | 548.29987039 g/mol |
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| SMILES | COC(=O)[C@@H](OC(C)(C)C)c1c(C)nc2cc3nn2c1N1CCC(C)(CC1)OCC=Cc1ccccc1COC3 |
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| InChIKey | NORPCRKWAZMHPB-MHZLTWQESA-N |
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| PubChem CID | 123783014 |
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Chemical & Physical Properties
| XLogP | 4.1 |
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| Topological polar surface area | 87.4 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 40 |
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| Formal charge | 0 |
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| Complexity | 1,010 |
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![Methyl (2S)-2-(tert-butoxy)-2-[4,23-dimethyl-11,22-dioxa-1,5,7,8-tetraazapentacyclo[21.2.2.16,9.02,7.013,18]octacosa-2,4,6(28),8,13(18),14,16,19-octaen-3-yl]acetate molecular structure](/img/chemical/123783014.png)