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N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide

ChemBase ID: 340021
Molecular Formular: C22H22N4O2
Molecular Mass: 374.43568
Monoisotopic Mass: 374.17427596
SMILES and InChIs

SMILES:
c1([nH]c2c(c1C)cc(cc2CNC(=O)Cc1nonc1C)C)c1ccccc1
Canonical SMILES:
O=C(Cc1nonc1C)NCc1cc(C)cc2c1[nH]c(c2C)c1ccccc1
InChI:
InChI=1S/C22H22N4O2/c1-13-9-17(12-23-20(27)11-19-15(3)25-28-26-19)22-18(10-13)14(2)21(24-22)16-7-5-4-6-8-16/h4-10,24H,11-12H2,1-3H3,(H,23,27)
InChIKey:
KUWYSIYRJCNYKN-UHFFFAOYSA-N

Cite this record

CBID:340021 http://www.chembase.cn/molecule-340021.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
IUPAC Traditional name
N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
Synonyms
N-[(3,5-dimethyl-2-phenyl-1H-indol-7-yl)methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)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 15.199884  H Acceptors
H Donor LogD (pH = 5.5) 3.5510976 
LogD (pH = 7.4) 3.5510976  Log P 3.5510976 
Molar Refractivity 109.4698 cm3 Polarizability 43.215553 Å3
Polar Surface Area 83.81 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.1  LOG S -4.57 
Polar Surface Area 83.81 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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