Basic information
- CAS
439084-31-8- Standard SMILES
COc1ccc(Cc2nnc(C(C)NC(=O)C(CCCc3ccccc3)C(C)=O)c(=O)[nH]2)cc1OC- InChIKey
YIXZCVOHKRPCKF-UHFFFAOYSA-N- Molecular formula
- C27H32N4O5
- Average molar mass
- 492.6 g/mol
- Monoisotopic mass
- 492.23727012
Names & identifiers
- Preferred name
- 2-Acetyl-N-(1-{3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}ethyl)-5-phenylpentanamide
- IUPAC
- 2-acetyl-N-[1-[3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]ethyl]-5-phenylpentanamide
Names & synonyms
SCHEMBL6190518DTXSID40594372YIXZCVOHKRPCKF-UHFFFAOYSA-N439084-31-82-Acetyl-N-(1-{3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}ethyl)-5-phenylpentanamide2-acetyl-N-{1-[3-(3,4-dimethoxy-benzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]ethyl}-5-phenylpentanamide2-acetyl-N-{1-[3-(3,4-dimethoxybenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]ethyl}-5-phenylpentanamide
Database identifiers
- CAS
439084-31-8- PubChem CID
- 136017766
- DTXSID
DTXSID40594372
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 836
Related reactions
3 records
Compound notes
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