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

HCID 58711986
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Basic information

Standard SMILES
COc1cc(Nc2ncc(C(C)NC(=O)c3cccc(C(F)(F)F)c3)nn2)cc(OC)c1OC
InChIKey
FBEHCJOHSQZHRR-UHFFFAOYSA-N
Molecular formula
C22H22F3N5O4
Average molar mass
477.4 g/mol
Monoisotopic mass
477.16238869

Names & identifiers

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

Names & synonyms

3-(trifluoromethyl)-N-(1-{3-[(3,4,5-trimethoxyphenyl)amino]-1,2,4-triazin-6-yl}ethyl)benzamideSCHEMBL3995711

Database identifiers

PubChem CID
58711986

Properties

Computed structural properties

XLogP
3.1
Topological polar surface area
107 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
11
Rotatable bonds
8
Heavy atoms
34

Related reactions

3 records
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Compound notes

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