HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 60071908Generated: October 27, 2026
(7bR,11aS)-N-(3-chlorobenzyl)-1,2,7b,8,9,10,11,11a-octahydro-4H-pyrido[4,3-b][1,4]thiazepino[6,5,4-hi]indol-6-amine
https://huagongshe.com/en/chemical/60071908
Identifiers & Physical Properties
| Molecular formula | C21H24ClN3S |
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| Average molar mass | 386 g/mol |
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| SMILES | Clc1cccc(CNc2cc3c4c(c2)[C@@H]2CNCC[C@@H]2N4CCSC3)c1 |
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| InChIKey | CBJFQOUZPVAQGB-PMACEKPBSA-N |
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| PubChem CID | 60071908 |
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Chemical & Physical Properties
| XLogP | 4 |
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| Topological polar surface area | 52.6 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 4 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 26 |
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| Formal charge | 0 |
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| Complexity | 492 |
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![(7bR,11aS)-N-(3-chlorobenzyl)-1,2,7b,8,9,10,11,11a-octahydro-4H-pyrido[4,3-b][1,4]thiazepino[6,5,4-hi]indol-6-amine molecular structure](/img/chemical/60071908.png)