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N-methyl-N-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-benzothiophene-2-carboxamide

ChemBase ID: 460118
Molecular Formular: C18H14N4O2S
Molecular Mass: 350.39436
Monoisotopic Mass: 350.08374671
SMILES and InChIs

SMILES:
c1(sc2c(c1)cccc2)C(=O)N(Cc1nc(no1)c1ccncc1)C
Canonical SMILES:
CN(C(=O)c1cc2c(s1)cccc2)Cc1onc(n1)c1ccncc1
InChI:
InChI=1S/C18H14N4O2S/c1-22(18(23)15-10-13-4-2-3-5-14(13)25-15)11-16-20-17(21-24-16)12-6-8-19-9-7-12/h2-10H,11H2,1H3
InChIKey:
NFZHNORYDBBWNL-UHFFFAOYSA-N

Cite this record

CBID:460118 http://www.chembase.cn/molecule-460118.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-methyl-N-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-benzothiophene-2-carboxamide
IUPAC Traditional name
N-methyl-N-{[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methyl}-1-benzothiophene-2-carboxamide
Synonyms
N-methyl-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-1-benzothiophene-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) 3.0886304  LogD (pH = 7.4) 3.0891726 
Log P 3.0891795  Molar Refractivity 105.8639 cm3
Polarizability 37.1115 Å3 Polar Surface Area 72.12 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.46  LOG S -4.71 
Polar Surface Area 72.12 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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