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

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

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

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

structure
  • CAS No:

    502977-11-9

  • Formula:

    C16H18N4O5S

  • Chemical Name:

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

  • Synonyms:

    ZINC3240244;AKOS033667847;MCULE-5050373511;AB00713674-01;Z19255618;3,3-dimethyl-2-oxobutyl 4-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate;502977-11-9

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

378.4 g/mol

378.09979086 g/mol

Characteristics

145 Ų

Computed Properties

Molecular Weight:378.4
XLogP3:2.7
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:7
Exact Mass:378.09979086
Monoisotopic Mass:378.09979086
Topological Polar Surface Area:145
Heavy Atom Count:26
Complexity:548
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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

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