HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 127028362Generated: October 27, 2026
Benzamide, 3-(aminomethyl)-N-[(2R)-1,2,3,4-tetrahydro-7-[(5,6,7,8-tetrahydro-7-oxo-1,8-naphthyridin-4-yl)oxy]-2-naphthalenyl]-5-(trifluoromethyl)-, hydrochloride (1:2)
https://huagongshe.com/en/chemical/127028362
Identifiers & Physical Properties
| CAS No. | 1237536-19-4 |
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| Molecular formula | C27H27Cl2F3N4O3 |
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| Average molar mass | 583.4 g/mol |
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| Monoisotopic mass | 582.1412306 g/mol |
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| SMILES | Cl.Cl.NCc1cc(C(=O)N[C@@H]2CCc3ccc(Oc4ccnc5c4CCC(=O)N5)cc3C2)cc(C(F)(F)F)c1 |
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| InChIKey | LWVGDBMVZYRODI-FAVHNTAZSA-N |
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| PubChem CID | 127028362 |
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| ChEMBL | CHEMBL3764101 |
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| DTXSID | DTXSID101375673 |
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Chemical & Physical Properties
| Topological polar surface area | 106 |
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| Hydrogen bond donors | 5 |
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| Hydrogen bond acceptors | 8 |
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| Rotatable bonds | 5 |
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| Heavy atoms | 39 |
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| Formal charge | 0 |
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| Complexity | 827 |
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![Benzamide, 3-(aminomethyl)-N-[(2R)-1,2,3,4-tetrahydro-7-[(5,6,7,8-tetrahydro-7-oxo-1,8-naphthyridin-4-yl)oxy]-2-naphthalenyl]-5-(trifluoromethyl)-, hydrochloride (1:2) molecular structure](/img/chemical/127028362.png)