HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 71255152Generated: October 29, 2026
Methyl 4-({[3-(aminomethyl)oxetan-3-yl]methyl}amino)-2-(1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)quinoline-6-carboxylate
https://huagongshe.com/en/chemical/71255152
Identifiers & Physical Properties
| Molecular formula | C25H28N4O5S |
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| Average molar mass | 496.6 g/mol |
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| SMILES | COC(=O)c1ccc2nc(N3CCS(=O)(=O)c4ccccc4C3)cc(NCC3(CN)COC3)c2c1 |
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| InChIKey | BKPMDENARAAHIQ-UHFFFAOYSA-N |
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| PubChem CID | 71255152 |
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Chemical & Physical Properties
| XLogP | 2.3 |
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| Topological polar surface area | 132 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 9 |
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| Rotatable bonds | 7 |
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| Heavy atoms | 35 |
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| Formal charge | 0 |
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| Complexity | 860 |
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![Methyl 4-({[3-(aminomethyl)oxetan-3-yl]methyl}amino)-2-(1,1-dioxido-2,3-dihydro-1,4-benzothiazepin-4(5H)-yl)quinoline-6-carboxylate molecular structure](/img/chemical/71255152.png)