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N,N-diethyl-1-{1-[(4-methoxyphenyl)methyl]piperidin-3-yl}-1H-1,2,3-triazole-4-carboxamide

ChemBase ID: 866277
Molecular Formular: C20H29N5O2
Molecular Mass: 371.47656
Monoisotopic Mass: 371.23212519
SMILES and InChIs

SMILES:
c1(nnn(c1)C1CN(Cc2ccc(cc2)OC)CCC1)C(=O)N(CC)CC
Canonical SMILES:
CCN(C(=O)c1nnn(c1)C1CCCN(C1)Cc1ccc(cc1)OC)CC
InChI:
InChI=1S/C20H29N5O2/c1-4-24(5-2)20(26)19-15-25(22-21-19)17-7-6-12-23(14-17)13-16-8-10-18(27-3)11-9-16/h8-11,15,17H,4-7,12-14H2,1-3H3
InChIKey:
ZNAGSRVYNMNNIE-UHFFFAOYSA-N

Cite this record

CBID:866277 http://www.chembase.cn/molecule-866277.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,N-diethyl-1-{1-[(4-methoxyphenyl)methyl]piperidin-3-yl}-1H-1,2,3-triazole-4-carboxamide
IUPAC Traditional name
N,N-diethyl-1-{1-[(4-methoxyphenyl)methyl]piperidin-3-yl}-1,2,3-triazole-4-carboxamide
Synonyms
N,N-diethyl-1-[1-(4-methoxybenzyl)-3-piperidinyl]-1H-1,2,3-triazole-4-carboxamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 66829304 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)
H Acceptors H Donor
LogD (pH = 5.5) -0.008952973  LogD (pH = 7.4) 1.7563704 
Log P 2.4686997  Molar Refractivity 117.6215 cm3
Polarizability 40.349136 Å3 Polar Surface Area 63.49 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.02  LOG S -2.41 
Polar Surface Area 63.49 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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