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N-[(2-chloropyridin-3-yl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide

ChemBase ID: 460120
Molecular Formular: C18H17ClN2O3
Molecular Mass: 344.79218
Monoisotopic Mass: 344.09277009
SMILES and InChIs

SMILES:
c1(oc2c(c1C)ccc(c2)OC)C(=O)N(Cc1c(nccc1)Cl)C
Canonical SMILES:
COc1ccc2c(c1)oc(c2C)C(=O)N(Cc1cccnc1Cl)C
InChI:
InChI=1S/C18H17ClN2O3/c1-11-14-7-6-13(23-3)9-15(14)24-16(11)18(22)21(2)10-12-5-4-8-20-17(12)19/h4-9H,10H2,1-3H3
InChIKey:
IIPVDKJEBDXWIY-UHFFFAOYSA-N

Cite this record

CBID:460120 http://www.chembase.cn/molecule-460120.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(2-chloropyridin-3-yl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide
IUPAC Traditional name
N-[(2-chloropyridin-3-yl)methyl]-6-methoxy-N,3-dimethyl-1-benzofuran-2-carboxamide
Synonyms
N-[(2-chloro-3-pyridinyl)methyl]-6-methoxy-N,3-dimethyl-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) 3.0371246  LogD (pH = 7.4) 3.0371354 
Log P 3.0371354  Molar Refractivity 93.4746 cm3
Polarizability 36.138065 Å3 Polar Surface Area 55.57 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.78  LOG S -3.23 
Polar Surface Area 55.57 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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