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

HCID 58711978
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Basic information

Standard SMILES
COc1cc(Nc2ncc(C(C)NC(=O)c3ccccc3[N+](=O)[O-])nn2)cc(OC)c1OC
InChIKey
VKQRMEIWJLCTQI-UHFFFAOYSA-N
Molecular formula
C21H22N6O6
Average molar mass
454.4 g/mol

Names & identifiers

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

Names & synonyms

SCHEMBL3994584VKQRMEIWJLCTQI-UHFFFAOYSA-N2-nitro-N-(1-{3-[(3,4,5-trimethoxyphenyl)amino]-1,2,4-triazin-6-yl}ethyl)benzamide

Database identifiers

PubChem CID
58711978

Properties

Computed structural properties

XLogP
2
Topological polar surface area
153 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
10
Rotatable bonds
8
Heavy atoms
33

Related reactions

10 records
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Compound notes

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