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2-(2,5-dimethoxyphenyl)-N-{[5-(pyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}acetamide

ChemBase ID: 341134
Molecular Formular: C23H23N3O4
Molecular Mass: 405.44642
Monoisotopic Mass: 405.16885623
SMILES and InChIs

SMILES:
c12c(OC(C2)CNC(=O)Cc2c(ccc(c2)OC)OC)ccc(c1)c1nccnc1
Canonical SMILES:
COc1ccc(cc1CC(=O)NCC1Cc2c(O1)ccc(c2)c1cnccn1)OC
InChI:
InChI=1S/C23H23N3O4/c1-28-18-4-6-21(29-2)17(10-18)12-23(27)26-13-19-11-16-9-15(3-5-22(16)30-19)20-14-24-7-8-25-20/h3-10,14,19H,11-13H2,1-2H3,(H,26,27)
InChIKey:
AGNTWVUJOCCARY-UHFFFAOYSA-N

Cite this record

CBID:341134 http://www.chembase.cn/molecule-341134.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2,5-dimethoxyphenyl)-N-{[5-(pyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}acetamide
IUPAC Traditional name
2-(2,5-dimethoxyphenyl)-N-{[5-(pyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}acetamide
Synonyms
2-(2,5-dimethoxyphenyl)-N-{[5-(2-pyrazinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl}acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13977501 external link Add to cart
Data Source Data ID Price
ChemBridge
13977501 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 14.909179  H Acceptors
H Donor LogD (pH = 5.5) 2.053815 
LogD (pH = 7.4) 2.0538208  Log P 2.053821 
Molar Refractivity 110.9933 cm3 Polarizability 44.469955 Å3
Polar Surface Area 82.57 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.67  LOG S -4.64 
Polar Surface Area 82.57 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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