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Home > Encyclopedia > benzyl N-[1-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]methyl]-2,5-dioxopyrrolidin-3-yl]carbamate

benzyl N-[1-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]methyl]-2,5-dioxopyrrolidin-3-yl]carbamate

benzyl N-[1-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]methyl]-2,5-dioxopyrrolidin-3-yl]carbamate structure

benzyl N-[1-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]methyl]-2,5-dioxopyrrolidin-3-yl]carbamate 

structure
  • CAS No:

    6087-75-8

  • Formula:

    C34H36N6O7S

  • Chemical Name:

    benzyl N-[1-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]methyl]-2,5-dioxopyrrolidin-3-yl]carbamate

  • Synonyms:

    4,7-Dihydroxy-cumarin-3-carbonsaeure; BENZYL N-[1-[[4-[4-[4-(HYDROXYMETHYL)PHENYL]-5-METHYL-6-[(1-METHYLTETRAZOL-5-YL)SULFANYLMETHYL]-1,3-DIOXAN-2-YL]PHENYL]METHYL]-2,5-DIOXO-PYRROLIDIN-3-YL]CARBAMATE;

benzyl N-[1-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]methyl]-2,5-dioxopyrrolidin-3-yl]carbamate Basic Attributes

672.75100

672.23661868

DTXSID70410839

Characteristics

186.79000

3.98230

1.43g/cm3

1.688

Computed Properties

Molecular Weight:672.8
XLogP3:3.1
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:11
Rotatable Bond Count:12
Exact Mass:672.23661868
Monoisotopic Mass:672.23661868
Topological Polar Surface Area:183
Heavy Atom Count:48
Complexity:1080
Undefined Atom Stereocenter Count:5
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of benzyl N-[1-[[4-[4-[4-(hydroxymethyl)phenyl]-5-methyl-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-dioxan-2-yl]phenyl]methyl]-2,5-dioxopyrrolidin-3-yl]carbamate

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