HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 69090608Generated: November 4, 2026
2,5-Dimethyl-N-{3-[(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)methyl]phenyl}-1H-pyrrole-3-carboxamide
https://huagongshe.com/en/chemical/69090608
Identifiers & Physical Properties
| CAS No. | 1036396-37-8 |
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| Molecular formula | C22H24N4O2 |
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| Average molar mass | 376.5 g/mol |
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| Monoisotopic mass | 376.18992602 g/mol |
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| SMILES | Cc1cc(C(=O)Nc2cccc(Cc3n[nH]c(=O)c4c3CCCC4)c2)c(C)[nH]1 |
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| InChIKey | NLLHOQKYRFPUBL-UHFFFAOYSA-N |
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| PubChem CID | 69090608 |
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| ChEMBL | CHEMBL3955369 |
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| DTXSID | DTXSID601112256 |
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Chemical & Physical Properties
| XLogP | 3 |
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| Topological polar surface area | 86.4 |
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| Hydrogen bond donors | 3 |
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| Hydrogen bond acceptors | 3 |
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| Rotatable bonds | 4 |
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| Heavy atoms | 28 |
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| Formal charge | 0 |
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| Complexity | 699 |
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![2,5-Dimethyl-N-{3-[(4-oxo-3,4,5,6,7,8-hexahydrophthalazin-1-yl)methyl]phenyl}-1H-pyrrole-3-carboxamide molecular structure](/img/chemical/69090608.png)