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

1,3-benzothiazol-2-ylmethyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate

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

1,3-benzothiazol-2-ylmethyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate 

structure
  • CAS No:

    502973-67-3

  • Formula:

    C18H13N5O4S2

  • Chemical Name:

    1,3-benzothiazol-2-ylmethyl 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate

  • Synonyms:

    ZINC2658799;AKOS033667819;MCULE-1356853839;Z19254619;(1,3-benzothiazol-2-yl)methyl 4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate;502973-67-3

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

427.5 g/mol

427.04089626 g/mol

Characteristics

169 Ų

Computed Properties

Molecular Weight:427.5
XLogP3:3.5
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:6
Exact Mass:427.04089626
Monoisotopic Mass:427.04089626
Topological Polar Surface Area:169
Heavy Atom Count:29
Complexity:609
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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