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N-{[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}-5-phenoxyfuran-2-carboxamide

ChemBase ID: 510195
Molecular Formular: C26H23N3O4
Molecular Mass: 441.47852
Monoisotopic Mass: 441.16885623
SMILES and InChIs

SMILES:
c1(oc(cc1)Oc1ccccc1)C(=O)NCC1Oc2c(cc(c3nc(cnc3C)C)cc2)C1
Canonical SMILES:
Cc1cnc(c(n1)c1ccc2c(c1)CC(O2)CNC(=O)c1ccc(o1)Oc1ccccc1)C
InChI:
InChI=1S/C26H23N3O4/c1-16-14-27-17(2)25(29-16)18-8-9-22-19(12-18)13-21(31-22)15-28-26(30)23-10-11-24(33-23)32-20-6-4-3-5-7-20/h3-12,14,21H,13,15H2,1-2H3,(H,28,30)
InChIKey:
BTEQVCMZJIIPPE-UHFFFAOYSA-N

Cite this record

CBID:510195 http://www.chembase.cn/molecule-510195.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-{[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}-5-phenoxyfuran-2-carboxamide
IUPAC Traditional name
N-{[5-(3,6-dimethylpyrazin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}-5-phenoxyfuran-2-carboxamide
Synonyms
N-{[5-(3,6-dimethyl-2-pyrazinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl}-5-phenoxy-2-furamide

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 13.832701  H Acceptors
H Donor LogD (pH = 5.5) 3.3015296 
LogD (pH = 7.4) 3.3015628  Log P 3.3015633 
Molar Refractivity 121.0835 cm3 Polarizability 48.1094 Å3
Polar Surface Area 86.48 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.65  LOG S -7.32 
Polar Surface Area 86.48 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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