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Home > Encyclopedia > methyl 4-(4-methylphenyl)-2-[[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]thiophene-3-carboxylate

methyl 4-(4-methylphenyl)-2-[[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]thiophene-3-carboxylate

methyl 4-(4-methylphenyl)-2-[[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]thiophene-3-carboxylate structure

methyl 4-(4-methylphenyl)-2-[[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]thiophene-3-carboxylate 

structure
  • CAS No:

    1212117-93-5

  • Formula:

    C25H25N3O3S2

  • Chemical Name:

    methyl 4-(4-methylphenyl)-2-[[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]thiophene-3-carboxylate

  • Synonyms:

    ZINC2158135;STL532688;AKOS030499458;1212117-93-5;methyl 4-(4-methylphenyl)-2-({[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]carbonothioyl}amino)thiophene-3-carboxylate

methyl 4-(4-methylphenyl)-2-[[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]thiophene-3-carboxylate Basic Attributes

479.6 g/mol

479.13373402 g/mol

Characteristics

122 Ų

Computed Properties

Molecular Weight:479.6
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:479.13373402
Monoisotopic Mass:479.13373402
Topological Polar Surface Area:122
Heavy Atom Count:33
Complexity:867
Defined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of methyl 4-(4-methylphenyl)-2-[[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbothioyl]amino]thiophene-3-carboxylate

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