HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 10074635Generated: October 31, 2026
{7-[(4-Carbamimidoyl-phenyl)-methyl-carbamoyl]-3-oxo-2-phenethyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-4-yl}-acetic acid
https://huagongshe.com/en/chemical/10074635
Identifiers & Physical Properties
| CAS No. | 171049-46-0 |
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| Molecular formula | C29H30N4O4 |
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| Average molar mass | 498.6 g/mol |
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| Monoisotopic mass | 498.22670545 g/mol |
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| SMILES | CN(C(=O)c1ccc2c(c1)CC(CC(=O)O)C(=O)N(CCc1ccccc1)C2)c1ccc(C(=N)N)cc1 |
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| InChIKey | RIDAEANAMCADNQ-UHFFFAOYSA-N |
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| PubChem CID | 10074635 |
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| ChEMBL | CHEMBL82980 |
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| DTXSID | DTXSID301103311 |
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Chemical & Physical Properties
| XLogP | 2.7 |
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| Topological polar surface area | 128 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 5 |
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| Rotatable bonds | 8 |
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| Heavy atoms | 37 |
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| Formal charge | 0 |
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| Complexity | 834 |
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![{7-[(4-Carbamimidoyl-phenyl)-methyl-carbamoyl]-3-oxo-2-phenethyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-4-yl}-acetic acid molecular structure](/img/chemical/10074635.png)