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Basic information
- Standard SMILES
COc1ccc(Cc2nnc(C(C)NC(=O)C(CCCc3ccccc3)C(C)=O)c(=O)[nH]2)cc1- InChIKey
MXTPLWOHIQRHKP-UHFFFAOYSA-N- Molecular formula
- C26H30N4O4
- Average molar mass
- 462.5 g/mol
- Monoisotopic mass
- 462.22670545
Names & identifiers
- Preferred name
- 2-acetyl-N-{1-[3-(4-methoxybenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]ethyl}-5-phenyl-pentanamide
- IUPAC
- 2-acetyl-N-[1-[3-[(4-methoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]ethyl]-5-phenylpentanamide
Names & synonyms
SCHEMBL6188955MXTPLWOHIQRHKP-UHFFFAOYSA-N2-acetyl-N-{1-[3-(4-methoxybenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]ethyl}-5-phenyl-pentanamide
Database identifiers
- PubChem CID
- 135409596
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 109 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 780
Related reactions
2 records
Compound notes
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