HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 161753695Generated: November 4, 2026
2-aminochloranuidyl-4-methyl-N-[4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]pentanamide;tert-butyl N-[4-methyl-1-oxo-1-[[4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]pentan-2-yl]carbamate
https://huagongshe.com/en/chemical/161753695
Identifiers & Physical Properties
| Molecular formula | C49H60ClF12N12O6- |
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| Average molar mass | 1,176.5 g/mol |
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| SMILES | CC(C)CC(C(=O)NC(CC1=CC(=C(C=C1F)F)F)CC(=O)N2CCN3C(=NN=C3C(F)(F)F)C2)NC(=O)OC(C)(C)C.CC(C)CC(C(=O)NC(CC1=CC(=C(C=C1F)F)F)CC(=O)N2CCN3C(=NN=C3C(F)(F)F)C2)[Cl-]N |
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| InChIKey | CQMUJFPCXVEWTL-UHFFFAOYSA-N |
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| PubChem CID | 161753695 |
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Chemical & Physical Properties
| Topological polar surface area | 225 |
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| Hydrogen bond donors | 4 |
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| Hydrogen bond acceptors | 24 |
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| Rotatable bonds | 19 |
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| Heavy atoms | 80 |
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| Formal charge | -1 |
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| Complexity | 1,780 |
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![2-aminochloranuidyl-4-methyl-N-[4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]pentanamide;tert-butyl N-[4-methyl-1-oxo-1-[[4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-1-(2,4,5-trifluorophenyl)butan-2-yl]amino]pentan-2-yl]carbamate molecular structure](/img/chemical/161753695.png)