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{[2-methanesulfonyl-1-(oxolan-2-ylmethyl)-1H-imidazol-5-yl]methyl}(methyl)[(3-methylpyridin-2-yl)methyl]amine

ChemBase ID: 510086
Molecular Formular: C18H26N4O3S
Molecular Mass: 378.48904
Monoisotopic Mass: 378.17256171
SMILES and InChIs

SMILES:
c1(n(c(cn1)CN(Cc1ncccc1C)C)CC1OCCC1)S(=O)(=O)C
Canonical SMILES:
CN(Cc1cnc(n1CC1CCCO1)S(=O)(=O)C)Cc1ncccc1C
InChI:
InChI=1S/C18H26N4O3S/c1-14-6-4-8-19-17(14)13-21(2)11-15-10-20-18(26(3,23)24)22(15)12-16-7-5-9-25-16/h4,6,8,10,16H,5,7,9,11-13H2,1-3H3
InChIKey:
UQBOIAZUAWZJCJ-UHFFFAOYSA-N

Cite this record

CBID:510086 http://www.chembase.cn/molecule-510086.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
{[2-methanesulfonyl-1-(oxolan-2-ylmethyl)-1H-imidazol-5-yl]methyl}(methyl)[(3-methylpyridin-2-yl)methyl]amine
IUPAC Traditional name
{[2-methanesulfonyl-3-(oxolan-2-ylmethyl)imidazol-4-yl]methyl}(methyl)[(3-methylpyridin-2-yl)methyl]amine
Synonyms
N-methyl-1-(3-methyl-2-pyridinyl)-N-{[2-(methylsulfonyl)-1-(tetrahydro-2-furanylmethyl)-1H-imidazol-5-yl]methyl}methanamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 40469159 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 19.310139  H Acceptors
H Donor LogD (pH = 5.5) 0.88206553 
LogD (pH = 7.4) 0.9832292  Log P 0.9846913 
Molar Refractivity 101.036 cm3 Polarizability 39.7593 Å3
Polar Surface Area 77.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.54  LOG S -0.31 
Polar Surface Area 77.32 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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