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N-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)-N-(thiophen-3-ylmethyl)benzamide

ChemBase ID: 410349
Molecular Formular: C18H19N3O2S
Molecular Mass: 341.42736
Monoisotopic Mass: 341.11979786
SMILES and InChIs

SMILES:
C(=O)(N(Cc1cscc1)CCOC)c1cc(c2c[nH]nc2)ccc1
Canonical SMILES:
COCCN(C(=O)c1cccc(c1)c1c[nH]nc1)Cc1cscc1
InChI:
InChI=1S/C18H19N3O2S/c1-23-7-6-21(12-14-5-8-24-13-14)18(22)16-4-2-3-15(9-16)17-10-19-20-11-17/h2-5,8-11,13H,6-7,12H2,1H3,(H,19,20)
InChIKey:
LHUCTLYDDUZLCX-UHFFFAOYSA-N

Cite this record

CBID:410349 http://www.chembase.cn/molecule-410349.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)-N-(thiophen-3-ylmethyl)benzamide
IUPAC Traditional name
N-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)-N-(thiophen-3-ylmethyl)benzamide
Synonyms
N-(2-methoxyethyl)-3-(1H-pyrazol-4-yl)-N-(3-thienylmethyl)benzamide

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)
Acid pKa 14.546946  H Acceptors
H Donor LogD (pH = 5.5) 2.6805043 
LogD (pH = 7.4) 2.680586  Log P 2.680587 
Molar Refractivity 96.5153 cm3 Polarizability 37.212006 Å3
Polar Surface Area 58.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.97  LOG S -3.37 
Polar Surface Area 58.22 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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