HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 86586437Generated: October 23, 2026
tert-butyl (7bR,11aS)-6-amino-1,2,7b,10,11,11a-hexahydro-4H-pyrido[4,3-b][1,4]thiazepino[6,5,4-hi]indole-9(8H) carboxylate
https://huagongshe.com/en/chemical/86586437
Identifiers & Physical Properties
| Molecular formula | C19H27N3O2S |
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| Average molar mass | 361.5 g/mol |
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| SMILES | CC(C)(C)OC(=O)N1CC[C@H]2[C@@H](C1)c1cc(N)cc3c1N2CCSC3 |
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| InChIKey | RJQGPEXZHFPXJE-HOTGVXAUSA-N |
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| PubChem CID | 86586437 |
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Chemical & Physical Properties
| XLogP | 2.5 |
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| Topological polar surface area | 84.1 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 2 |
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| Heavy atoms | 25 |
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| Formal charge | 0 |
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| Complexity | 523 |
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![tert-butyl (7bR,11aS)-6-amino-1,2,7b,10,11,11a-hexahydro-4H-pyrido[4,3-b][1,4]thiazepino[6,5,4-hi]indole-9(8H) carboxylate molecular structure](/img/chemical/86586437.png)