[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
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![[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/8da1b9964faf4614bfdf9dfbfbe75741.png "[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate")
[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
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CAS No:
882157-14-4
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Formula:
C23H21FN4O3
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Chemical Name:
[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
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Synonyms:
ZINC2664644;AKOS033372468;MCULE-6054521160;Z14759816;[(2-cyanoethyl)(4-fluorophenyl)carbamoyl]methyl 4-(3,5-dimethyl-1H-pyrazol-1-yl)benzoate;882157-14-4
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CAS No:
[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 4-(3,5-dimethylpyrazol-1-yl)benzoate Basic Attributes
420.4 g/mol
420.15976871 g/mol
Computed Properties
Molecular Weight:420.4
XLogP3:3.4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:420.15976871
Monoisotopic Mass:420.15976871
Topological Polar Surface Area:88.2
Heavy Atom Count:31
Complexity:665
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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