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Home > Encyclopedia > [2-(benzylamino)-2-oxoethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate

[2-(benzylamino)-2-oxoethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate

[2-(benzylamino)-2-oxoethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate structure

[2-(benzylamino)-2-oxoethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate 

structure
  • CAS No:

    475253-50-0

  • Formula:

    C19H17N5O5S

  • Chemical Name:

    [2-(benzylamino)-2-oxoethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate

  • Synonyms:

    ZINC3245315;AKOS033667858;MCULE-7391069311;Z19255731;(benzylcarbamoyl)methyl 4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate;475253-50-0

[2-(benzylamino)-2-oxoethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate Basic Attributes

427.4 g/mol

427.09503983 g/mol

Characteristics

157 Ų

Computed Properties

Molecular Weight:427.4
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:8
Exact Mass:427.09503983
Monoisotopic Mass:427.09503983
Topological Polar Surface Area:157
Heavy Atom Count:30
Complexity:613
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of [2-(benzylamino)-2-oxoethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate

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