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

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

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

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

structure
  • CAS No:

    454656-82-7

  • Formula:

    C18H13N5O4S

  • Chemical Name:

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

  • Synonyms:

    ZINC3259178;AKOS033667846;MCULE-4569504178;Z19255600;(4-cyanophenyl)methyl 4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate;454656-82-7

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

395.4 g/mol

395.06882509 g/mol

Characteristics

152 Ų

Computed Properties

Molecular Weight:395.4
XLogP3:2.7
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:6
Exact Mass:395.06882509
Monoisotopic Mass:395.06882509
Topological Polar Surface Area:152
Heavy Atom Count:28
Complexity:613
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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