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4-[[(5E)-5-(aminomethylidene)-6-methylimino-3,7-dioxo-2-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-methylchloranuidyl-N-pyridin-2-ylbenzamide

HCID 164916618
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No structure available

Basic information

InChIKey
HBRGXYFCFOVGTQ-NOPNLZFASA-N
Molecular formula
C27H27ClN7O3-
Average molar mass
533 g/mol
Monoisotopic mass
532.1863904

Names & identifiers

Preferred name
4-[[(5E)-5-(aminomethylidene)-6-methylimino-3,7-dioxo-2-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-methylchloranuidyl-N-pyridin-2-ylbenzamide
IUPAC
4-[[(5E)-5-(aminomethylidene)-6-methylimino-3,7-dioxo-2-(pyridin-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-2-methylchloranuidyl-N-pyridin-2-ylbenzamide

Database identifiers

PubChem CID
164916618

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
143 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
8
Rotatable bonds
7
Heavy atoms
38
Formal charge
-1
Complexity
926

Related reactions

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Compound notes

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