HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57166330Generated: October 29, 2026
(2S,6RS)-4-(4-amino-quinazolin-7-ylmethyl)-2,6-dimethyl-3-oxo-piperazine-1-carboxylic acid benzyl ester
https://huagongshe.com/en/chemical/57166330
Identifiers & Physical Properties
| Molecular formula | C23H25N5O3 |
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| Average molar mass | 419.5 g/mol |
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| SMILES | CC1CN(Cc2ccc3c(N)ncnc3c2)C(=O)[C@H](C)N1C(=O)OCc1ccccc1 |
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| InChIKey | HGDHLSVSOZSDMY-LYKKTTPLSA-N |
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| PubChem CID | 57166330 |
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Chemical & Physical Properties
| XLogP | 2.5 |
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| Topological polar surface area | 102 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 6 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 31 |
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| Formal charge | 0 |
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| Complexity | 641 |
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