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2-(3-methylphenyl)-N-{[5-(5-methylpyridin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}acetamide

ChemBase ID: 370922
Molecular Formular: C24H24N2O2
Molecular Mass: 372.45956
Monoisotopic Mass: 372.18377802
SMILES and InChIs

SMILES:
c12c(OC(C2)CNC(=O)Cc2cc(ccc2)C)ccc(c1)c1ncc(cc1)C
Canonical SMILES:
O=C(Cc1cccc(c1)C)NCC1Oc2c(C1)cc(cc2)c1ccc(cn1)C
InChI:
InChI=1S/C24H24N2O2/c1-16-4-3-5-18(10-16)11-24(27)26-15-21-13-20-12-19(7-9-23(20)28-21)22-8-6-17(2)14-25-22/h3-10,12,14,21H,11,13,15H2,1-2H3,(H,26,27)
InChIKey:
YHLGTOOEIJHOFJ-UHFFFAOYSA-N

Cite this record

CBID:370922 http://www.chembase.cn/molecule-370922.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-methylphenyl)-N-{[5-(5-methylpyridin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}acetamide
IUPAC Traditional name
2-(3-methylphenyl)-N-{[5-(5-methylpyridin-2-yl)-2,3-dihydro-1-benzofuran-2-yl]methyl}acetamide
Synonyms
2-(3-methylphenyl)-N-{[5-(5-methyl-2-pyridinyl)-2,3-dihydro-1-benzofuran-2-yl]methyl}acetamide

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)
Acid pKa 15.461909  H Acceptors
H Donor LogD (pH = 5.5) 4.515864 
LogD (pH = 7.4) 4.612287  Log P 4.613679 
Molar Refractivity 110.3062 cm3 Polarizability 43.90652 Å3
Polar Surface Area 51.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.59  LOG S -6.61 
Polar Surface Area 51.22 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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