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(2-methoxyethyl)[(2-phenyl-1,3-thiazol-5-yl)methyl][(trimethyl-1H-pyrazol-4-yl)methyl]amine

ChemBase ID: 450074
Molecular Formular: C20H26N4OS
Molecular Mass: 370.51164
Monoisotopic Mass: 370.18273247
SMILES and InChIs

SMILES:
c1(c(n(nc1C)C)C)CN(Cc1sc(nc1)c1ccccc1)CCOC
Canonical SMILES:
COCCN(Cc1c(C)nn(c1C)C)Cc1cnc(s1)c1ccccc1
InChI:
InChI=1S/C20H26N4OS/c1-15-19(16(2)23(3)22-15)14-24(10-11-25-4)13-18-12-21-20(26-18)17-8-6-5-7-9-17/h5-9,12H,10-11,13-14H2,1-4H3
InChIKey:
SERWXQCRHGUGQG-UHFFFAOYSA-N

Cite this record

CBID:450074 http://www.chembase.cn/molecule-450074.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2-methoxyethyl)[(2-phenyl-1,3-thiazol-5-yl)methyl][(trimethyl-1H-pyrazol-4-yl)methyl]amine
IUPAC Traditional name
(2-methoxyethyl)[(2-phenyl-1,3-thiazol-5-yl)methyl][(trimethylpyrazol-4-yl)methyl]amine
Synonyms
(2-methoxyethyl)[(2-phenyl-1,3-thiazol-5-yl)methyl][(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]amine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID Price
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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) 1.3188637  LogD (pH = 7.4) 2.8896973 
Log P 3.1669343  Molar Refractivity 128.9955 cm3
Polarizability 41.488148 Å3 Polar Surface Area 43.18 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.94  LOG S -3.4 
Polar Surface Area 43.18 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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