2-bromo-N-(1-{3-[(3,4,5-trimethoxyphenyl)amino]-1,2,4-triazin-6-yl}ethyl)benzamide

HCID 58712005
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Basic information

Standard SMILES
COc1cc(Nc2ncc(C(C)NC(=O)c3ccccc3Br)nn2)cc(OC)c1OC
InChIKey
HIVSHZXLGBMJPG-UHFFFAOYSA-N
Molecular formula
C21H22BrN5O4
Average molar mass
488.3 g/mol

Names & identifiers

Preferred name
2-bromo-N-(1-{3-[(3,4,5-trimethoxyphenyl)amino]-1,2,4-triazin-6-yl}ethyl)benzamide
IUPAC
2-bromo-N-[1-[3-(3,4,5-trimethoxyanilino)-1,2,4-triazin-6-yl]ethyl]benzamide

Names & synonyms

SCHEMBL3997730HIVSHZXLGBMJPG-UHFFFAOYSA-N2-bromo-N-(1-{3-[(3,4,5-trimethoxyphenyl)amino]-1,2,4-triazin-6-yl}ethyl)benzamide

Database identifiers

PubChem CID
58712005

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
107 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
8
Rotatable bonds
8
Heavy atoms
31

Related reactions

3 records
New reaction record

Compound notes

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2-bromo-N-(1-{3-[(3,4,5-trimethoxyphenyl)amino]-1,2,4-triazin-6-yl}ethyl)benzamide (HCID 58712005)｜Huagongshe