2-acetyl-N-{1-[3-(3,4-dimethoxybenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]ethyl}-2-methyl-5-phenylpentanamide

HCID 136017769

Basic information

Standard SMILES
COc1ccc(Cc2nnc(C(C)NC(=O)C(C)(CCCc3ccccc3)C(C)=O)c(=O)[nH]2)cc1OC
InChIKey
JEAMZOPAWQZPRE-UHFFFAOYSA-N
Molecular formula
C28H34N4O5
Average molar mass
506.6 g/mol
Monoisotopic mass
506.2529202

Names & identifiers

Preferred name
2-acetyl-N-{1-[3-(3,4-dimethoxybenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]ethyl}-2-methyl-5-phenylpentanamide
IUPAC
2-acetyl-N-[1-[3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]ethyl]-2-methyl-5-phenylpentanamide

Names & synonyms

SCHEMBL6192900JEAMZOPAWQZPRE-UHFFFAOYSA-N2-acetyl-N-{1-[3-(3,4-dimethoxybenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]ethyl}-2-methyl-5-phenyl-pentanamide2-acetyl-N-{1-[3-(3,4-dimethoxybenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]ethyl}-2-methyl-5-phenylpentanamide

Database identifiers

PubChem CID
136017769

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
118 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
7
Rotatable bonds
12
Heavy atoms
37

Related reactions

3 records

Compound notes

Loading…