[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
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![[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/a2a0dabe4f2c482e8c454f26d129f4be.png "[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate")
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
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CAS No:
956713-28-3
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Formula:
C22H20ClN3O5
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Chemical Name:
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate
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Synonyms:
ZINC2649363;AKOS033941917;MCULE-5746189748;Z25457918;{[(2H-1,3-benzodioxol-5-yl)methyl]carbamoyl}methyl 1-benzyl-5-chloro-3-methyl-1H-pyrazole-4-carboxylate;956713-28-3
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CAS No:
[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Basic Attributes
441.9 g/mol
441.1091484 g/mol
Computed Properties
Molecular Weight:441.9
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:8
Exact Mass:441.1091484
Monoisotopic Mass:441.1091484
Topological Polar Surface Area:91.7
Heavy Atom Count:31
Complexity:632
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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