HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 74428811Generated: November 1, 2026
7-chloro-N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-yl]-2-heptan-4-yl-1-oxo-3,4-dihydroisoquinoline-5-carboxamide
https://huagongshe.com/en/chemical/74428811
Identifiers & Physical Properties
| Molecular formula | C37H41ClF5N3O3 |
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| Average molar mass | 706.2 g/mol |
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| Monoisotopic mass | 705.2756607 g/mol |
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| SMILES | CCCC(CCC)N1CCc2c(C(=O)NC(Cc3cc(F)cc(F)c3)C(O)CNC3(c4cccc(C(F)(F)F)c4)CC3)cc(Cl)cc2C1=O |
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| InChIKey | SHMOXBAMIDLPSM-UHFFFAOYSA-N |
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| PubChem CID | 74428811 |
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Chemical & Physical Properties
| XLogP | 8.3 |
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| Topological polar surface area | 81.7 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 9 |
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| Rotatable bonds | 14 |
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| Heavy atoms | 49 |
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| Formal charge | 0 |
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| Complexity | 1,100 |
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![7-chloro-N-[1-(3,5-difluorophenyl)-3-hydroxy-4-[[1-[3-(trifluoromethyl)phenyl]cyclopropyl]amino]butan-2-yl]-2-heptan-4-yl-1-oxo-3,4-dihydroisoquinoline-5-carboxamide molecular structure](/img/chemical/74428811.png)