Completing data — usually done within a minute
Basic information
- CAS
439084-30-7- Standard SMILES
COc1ccc(Cc2nnc(C(C)NC(=O)C(CCCc3ccccc3)C(C)O)c(=O)[nH]2)cc1OC- InChIKey
PQKHOJLSESEOOC-UHFFFAOYSA-N- Molecular formula
- C27H34N4O5
- Average molar mass
- 494.6 g/mol
- Monoisotopic mass
- 494.2529202
Names & identifiers
- Preferred name
- N-(1-{3-[(3,4-Dimethoxyphenyl)methyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}ethyl)-2-(1-hydroxyethyl)-5-phenylpentanamide
- IUPAC
- N-[1-[3-[(3,4-dimethoxyphenyl)methyl]-5-oxo-4H-1,2,4-triazin-6-yl]ethyl]-2-(1-hydroxyethyl)-5-phenylpentanamide
Names & synonyms
SCHEMBL6208541DTXSID60594374PQKHOJLSESEOOC-UHFFFAOYSA-N439084-30-72-(1-hydroxyethyl)-N-{1-[3-(3,4-dimethoxybenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]ethyl}-5-phenyl-pentanamide2-(1-hydroxyethyl)-n-{1-[3-(3,4-dimethoxybenzyl)-5-oxo-4,5-dihydro-1,2,4-triazin-6-yl]ethyl}-5-phenylpentanamideN-(1-{3-[(3,4-Dimethoxyphenyl)methyl]-5-oxo-2,5-dihydro-1,2,4-triazin-6-yl}ethyl)-2-(1-hydroxyethyl)-5-phenylpentanamide
Database identifiers
- CAS
439084-30-7- PubChem CID
- 136017765
- DTXSID
DTXSID60594374
Properties
Computed structural propertiesFilling in
- XLogP
- 3.7
- Topological polar surface area
- 122 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 795
Related reactions
3 records
Compound notes
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