HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 69521950Generated: October 28, 2026
N-[4-[[[1-(4-amino-4-oxobutyl)-1H-imidazol-2-yl]methyl]thio]phenyl]-7-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-2,3-dihydro-1H-1-benzazepine-4-carboxamide
https://huagongshe.com/en/chemical/69521950
Identifiers & Physical Properties
| Molecular formula | C41H51N5O4S |
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| Average molar mass | 709.9 g/mol |
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| Monoisotopic mass | 709.3661763 g/mol |
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| SMILES | CCCCOCCOc1ccc(-c2ccc3c(c2)C=C(C(=O)Nc2ccc(SCc4nccn4CCCC(N)=O)cc2)CCN3CC(C)C)cc1 |
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| InChIKey | XCJGWYQZLULFHT-UHFFFAOYSA-N |
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| PubChem CID | 69521950 |
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Chemical & Physical Properties
| XLogP | 6.7 |
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| Topological polar surface area | 137 |
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| Hydrogen bond donors | 2 |
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| Hydrogen bond acceptors | 7 |
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| Rotatable bonds | 19 |
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| Heavy atoms | 51 |
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| Formal charge | 0 |
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| Complexity | 1,080 |
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![N-[4-[[[1-(4-amino-4-oxobutyl)-1H-imidazol-2-yl]methyl]thio]phenyl]-7-[4-(2-butoxyethoxy)phenyl]-1-isobutyl-2,3-dihydro-1H-1-benzazepine-4-carboxamide molecular structure](/img/chemical/69521950.png)