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6-methoxy-N-(2-methoxyethyl)-3-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-benzofuran-2-carboxamide

ChemBase ID: 470284
Molecular Formular: C20H23NO4S
Molecular Mass: 373.46592
Monoisotopic Mass: 373.13477922
SMILES and InChIs

SMILES:
c1(oc2c(c1C)ccc(c2)OC)C(=O)N(Cc1sc(cc1)C)CCOC
Canonical SMILES:
COCCN(C(=O)c1oc2c(c1C)ccc(c2)OC)Cc1ccc(s1)C
InChI:
InChI=1S/C20H23NO4S/c1-13-5-7-16(26-13)12-21(9-10-23-3)20(22)19-14(2)17-8-6-15(24-4)11-18(17)25-19/h5-8,11H,9-10,12H2,1-4H3
InChIKey:
BBTYHJTZNVGYKX-UHFFFAOYSA-N

Cite this record

CBID:470284 http://www.chembase.cn/molecule-470284.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
6-methoxy-N-(2-methoxyethyl)-3-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
IUPAC Traditional name
6-methoxy-N-(2-methoxyethyl)-3-methyl-N-[(5-methylthiophen-2-yl)methyl]-1-benzofuran-2-carboxamide
Synonyms
6-methoxy-N-(2-methoxyethyl)-3-methyl-N-[(5-methyl-2-thienyl)methyl]-1-benzofuran-2-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 3.9423528  LogD (pH = 7.4) 3.9423528 
Log P 3.9423528  Molar Refractivity 102.7551 cm3
Polarizability 39.89298 Å3 Polar Surface Area 51.91 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.76  LOG S -4.28 
Polar Surface Area 51.91 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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