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1-(3,5-dimethyl-1-benzofuran-2-carbonyl)-2-methyl-4-phenylpiperazine

ChemBase ID: 340058
Molecular Formular: C22H24N2O2
Molecular Mass: 348.43816
Monoisotopic Mass: 348.18377802
SMILES and InChIs

SMILES:
c1(C(=O)N2C(CN(CC2)c2ccccc2)C)c(c2c(o1)ccc(c2)C)C
Canonical SMILES:
Cc1ccc2c(c1)c(C)c(o2)C(=O)N1CCN(CC1C)c1ccccc1
InChI:
InChI=1S/C22H24N2O2/c1-15-9-10-20-19(13-15)17(3)21(26-20)22(25)24-12-11-23(14-16(24)2)18-7-5-4-6-8-18/h4-10,13,16H,11-12,14H2,1-3H3
InChIKey:
BVYACZOWEDCSKK-UHFFFAOYSA-N

Cite this record

CBID:340058 http://www.chembase.cn/molecule-340058.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3,5-dimethyl-1-benzofuran-2-carbonyl)-2-methyl-4-phenylpiperazine
IUPAC Traditional name
1-(3,5-dimethyl-1-benzofuran-2-carbonyl)-2-methyl-4-phenylpiperazine
Synonyms
1-[(3,5-dimethyl-1-benzofuran-2-yl)carbonyl]-2-methyl-4-phenylpiperazine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 4.5267344  LogD (pH = 7.4) 4.5319533 
Log P 4.5320206  Molar Refractivity 104.6982 cm3
Polarizability 40.30757 Å3 Polar Surface Area 36.69 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.02  LOG S -5.86 
Polar Surface Area 36.69 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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