HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 57733021Generated: October 27, 2026
2-(Dimethylamino)ethyl 3-(3-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)isoquinolin-1-yl)benzoate
https://huagongshe.com/en/chemical/57733021
Identifiers & Physical Properties
| Molecular formula | C31H27F2N3O5 |
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| Average molar mass | 559.6 g/mol |
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| SMILES | CN(C)CCOC(=O)c1cccc(-c2nc(NC(=O)C3(c4ccc5c(c4)OC(F)(F)O5)CC3)cc3ccccc23)c1 |
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| InChIKey | FHZDZYHBDMAYJE-UHFFFAOYSA-N |
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| PubChem CID | 57733021 |
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Chemical & Physical Properties
| XLogP | 5.7 |
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| Topological polar surface area | 90 |
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| Hydrogen bond donors | 1 |
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| Hydrogen bond acceptors | 9 |
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| Rotatable bonds | 9 |
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| Heavy atoms | 41 |
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| Formal charge | 0 |
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| Complexity | 962 |
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![2-(Dimethylamino)ethyl 3-(3-(1-(2,2-difluorobenzo[d][1,3]dioxol-5-yl)cyclopropanecarboxamido)isoquinolin-1-yl)benzoate molecular structure](/img/chemical/57733021.png)