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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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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CAS No:
6087-75-8
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Formula:
C34H36N6O7S
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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
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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;
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CAS No:
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
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
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