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

HCID 136017765

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

Related reactions

3 records

Compound notes

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