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N-[(1,5-dimethyl-1H-indazol-3-yl)methyl]-4-acetamido-2-methylbenzamide

ChemBase ID: 460154
Molecular Formular: C20H22N4O2
Molecular Mass: 350.41428
Monoisotopic Mass: 350.17427596
SMILES and InChIs

SMILES:
n1n(c2c(c1CNC(=O)c1c(cc(NC(=O)C)cc1)C)cc(cc2)C)C
Canonical SMILES:
CC(=O)Nc1ccc(c(c1)C)C(=O)NCc1nn(c2c1cc(C)cc2)C
InChI:
InChI=1S/C20H22N4O2/c1-12-5-8-19-17(9-12)18(23-24(19)4)11-21-20(26)16-7-6-15(10-13(16)2)22-14(3)25/h5-10H,11H2,1-4H3,(H,21,26)(H,22,25)
InChIKey:
QOJCJZHUULZRMZ-UHFFFAOYSA-N

Cite this record

CBID:460154 http://www.chembase.cn/molecule-460154.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(1,5-dimethyl-1H-indazol-3-yl)methyl]-4-acetamido-2-methylbenzamide
IUPAC Traditional name
N-[(1,5-dimethylindazol-3-yl)methyl]-4-acetamido-2-methylbenzamide
Synonyms
4-(acetylamino)-N-[(1,5-dimethyl-1H-indazol-3-yl)methyl]-2-methylbenzamide

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 13.7485  H Acceptors
H Donor LogD (pH = 5.5) 2.5647917 
LogD (pH = 7.4) 2.564798  Log P 2.5647984 
Molar Refractivity 114.3 cm3 Polarizability 39.072266 Å3
Polar Surface Area 76.02 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.88  LOG S -4.21 
Polar Surface Area 76.02 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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