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N-{[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}-2-(2-methyl-1H-indol-3-yl)acetamide

ChemBase ID: 322469
Molecular Formular: C26H26N4O2
Molecular Mass: 426.51024
Monoisotopic Mass: 426.20557609
SMILES and InChIs

SMILES:
c1(c([nH]c2c1cccc2)C)CC(=O)NCC1Oc2c(c3nc(cnc3C)C)cccc2C1
Canonical SMILES:
O=C(Cc1c(C)[nH]c2c1cccc2)NCC1Cc2c(O1)c(ccc2)c1nc(C)cnc1C
InChI:
InChI=1S/C26H26N4O2/c1-15-13-27-17(3)25(29-15)21-9-6-7-18-11-19(32-26(18)21)14-28-24(31)12-22-16(2)30-23-10-5-4-8-20(22)23/h4-10,13,19,30H,11-12,14H2,1-3H3,(H,28,31)
InChIKey:
JAOTYCVIQZDION-UHFFFAOYSA-N

Cite this record

CBID:322469 http://www.chembase.cn/molecule-322469.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}-2-(2-methyl-1H-indol-3-yl)acetamide
IUPAC Traditional name
N-{[7-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}-2-(2-methyl-1H-indol-3-yl)acetamide
Synonyms
N-{[7-(3,6-dimethyl-2-pyrazinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl}-2-(2-methyl-1H-indol-3-yl)acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 15.426152  H Acceptors
H Donor LogD (pH = 5.5) 2.9302099 
LogD (pH = 7.4) 2.930227  Log P 2.9302273 
Molar Refractivity 123.4861 cm3 Polarizability 49.988743 Å3
Polar Surface Area 79.9 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.81  LOG S -6.73 
Polar Surface Area 79.9 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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