n-butanoylglucosamine structure

n-butanoylglucosamine

3-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-[2,6-di(propan-2-yl)phenyl]-4-methylbenzamide

Also Known As: n-butanoylglucosamine|3-((4-Chloro-1-(3-chlorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl)amino)-N-(2,6-diisopropylphenyl)-4-methylbenzamide|3-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-[2,6-di(propan-2-yl)phenyl]-4-methylbenzamide|3-{[4-chloro-1-(3-chlorophenyl)-2,5-dioxo-2,5-dihydro-1H-pyrrol-3-yl]amino}-N-[2,6-di(propan-2-yl)phenyl]-4-methylbenzamide|3-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxo-pyrrol-3-yl]amino]-N-(2,6-dipropan-2-ylphenyl)-4-methyl-benzamide

CAS: 6857-22-3
Molecular Formula C30H29Cl2N3O3
Molecular Weight 549.15857 g/mol
LogP 7.58322
Topological Polar Surface Area 78.51 Ų
Hydrogen Bond Donors 2
Hydrogen Bond Acceptors 4
Rotatable Bonds 7
Exact Mass 549.15857
Monoisotopic Mass 549.15857
Heavy Atoms 38
Complexity 1451.065

Chemical Identifiers

CAS Number 6857-22-3
SMILES CC1=C(C=C(C=C1)C(=O)NC2=C(C=CC=C2C(C)C)C(C)C)NC3=C(C(=O)N(C3=O)C4=CC(=CC=C4)Cl)Cl

Product Overview

n-butanoylglucosamine (CAS 6857-22-3), with molecular formula C30H29Cl2N3O3 and molecular weight 549.15857 g/mol. IUPAC: 3-[[4-chloro-1-(3-chlorophenyl)-2,5-dioxopyrrol-3-yl]amino]-N-[2,6-di(propan-2-yl)phenyl]-4-methylbenzamide.

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