HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 87259727Generated: October 27, 2026
2-[[2-[(4-chlorophenyl)methylcarbamoylamino]oxyacetyl]amino]-N-(1,1-diethoxypropan-2-yl)-N-(quinolin-8-ylmethyl)-N'-tritylbutanediamide
https://huagongshe.com/en/chemical/87259727
Identifiers & Physical Properties
| Molecular formula | C50H53ClN6O7 |
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| Average molar mass | 885.4 g/mol |
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| Monoisotopic mass | 884.3664257 g/mol |
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| SMILES | CCOC(OCC)C(C)N(Cc1cccc2cccnc12)C(=O)C(CC(=O)NC(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)CONC(=O)NCc1ccc(Cl)cc1 |
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| InChIKey | UHRVFDKRAALCMG-UHFFFAOYSA-N |
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| PubChem CID | 87259727 |
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Chemical & Physical Properties
| XLogP | 7.2 |
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| Topological polar surface area | 160 |
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| Hydrogen bond donors | 4 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 21 |
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| Heavy atoms | 64 |
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| Formal charge | 0 |
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| Complexity | 1,380 |
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![2-[[2-[(4-chlorophenyl)methylcarbamoylamino]oxyacetyl]amino]-N-(1,1-diethoxypropan-2-yl)-N-(quinolin-8-ylmethyl)-N'-tritylbutanediamide molecular structure](/img/chemical/87259727.png)