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Home > Encyclopedia > Benzoic acid, 3-[[2-(cyclohexylamino)-1-(1,3-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl][(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]amino]-, methyl ester (9CI)

Benzoic acid, 3-[[2-(cyclohexylamino)-1-(1,3-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl][(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]amino]-, methyl ester (9CI)

Benzoic acid, 3-[[2-(cyclohexylamino)-1-(1,3-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl][(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]amino]-, methyl ester (9CI) structure

Benzoic acid, 3-[[2-(cyclohexylamino)-1-(1,3-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl][(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]amino]-, methyl ester (9CI) 

structure
  • CAS No:

    478482-98-3

  • Formula:

    C30H34N4O6

  • Chemical Name:

    Benzoic acid, 3-[[2-(cyclohexylamino)-1-(1,3-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl][(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]amino]-, methyl ester (9CI)

  • Synonyms:

    Oprea1_316607;Oprea1_584126;CTK8I8382;AKOS000715335;Methyl 3-{[2-(cyclohexylamino)-1-(1,3-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl](2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)amino}benzoate

Benzoic acid, 3-[[2-(cyclohexylamino)-1-(1,3-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl][(2,3-dihydro-1,4-benzodioxin-2-yl)carbonyl]amino]-, methyl ester (9CI) Basic Attributes

546.61416

546.248

Characteristics

112

4.2

Computed Properties

Molecular Weight:546.6
XLogP3:4.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:8
Exact Mass:546.24783482
Monoisotopic Mass:546.24783482
Topological Polar Surface Area:112
Heavy Atom Count:40
Complexity:897
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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