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Home > Encyclopedia > diethyl 3-methyl-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate

diethyl 3-methyl-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate

diethyl 3-methyl-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate structure

diethyl 3-methyl-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate 

structure
  • CAS No:

    731800-26-3

  • Formula:

    C17H20N2O5S

  • Chemical Name:

    diethyl 3-methyl-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate

  • Synonyms:

    HMS1725N07;ZINC3290833;AKOS033630611;Z18545369;2-({[3,5-bis(ethoxycarbonyl)-4-methyl-1H-pyrrol-2-yl]methyl}sulfanyl)pyridin-1-ium-1-olate;731800-26-3

diethyl 3-methyl-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate Basic Attributes

364.4 g/mol

364.10929292 g/mol

Characteristics

119 Ų

Computed Properties

Molecular Weight:364.4
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:9
Exact Mass:364.10929292
Monoisotopic Mass:364.10929292
Topological Polar Surface Area:119
Heavy Atom Count:25
Complexity:464
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of diethyl 3-methyl-5-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1H-pyrrole-2,4-dicarboxylate

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