HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57977832Generated: October 27, 2026
(S)-2-(3-Benzothiazol-6-yl-phenylcarbamoyl)-pyrrolidine-1-carboxylic acid benzyl ester
https://huagongshe.com/en/chemical/57977832
Identifiers & Physical Properties
| Molecular formula | C26H23N3O3S |
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| Average molar mass | 457.5 g/mol |
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| SMILES | O=C(Nc1cccc(-c2ccc3ncsc3c2)c1)[C@@H]1CCCN1C(=O)OCc1ccccc1 |
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| InChIKey | KFZGMHXQTYWENH-QHCPKHFHSA-N |
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| PubChem CID | 57977832 |
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Chemical & Physical Properties
| XLogP | 5.1 |
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| Topological polar surface area | 99.8 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 6 |
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| Heavy atoms | 33 |
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| Formal charge | 0 |
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| Complexity | 686 |
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