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
- Formal charge
- 0
- Complexity
- 882
Related reactions
3 records
Compound notes
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