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N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-N-(pyridin-2-ylmethyl)benzamide

ChemBase ID: 321775
Molecular Formular: C28H26N2O3
Molecular Mass: 438.51764
Monoisotopic Mass: 438.1943427
SMILES and InChIs

SMILES:
N(C(=O)c1ccc(cc1)c1ccccc1)(Cc1cc(c(cc1)OC)OC)Cc1ncccc1
Canonical SMILES:
COc1ccc(cc1OC)CN(C(=O)c1ccc(cc1)c1ccccc1)Cc1ccccn1
InChI:
InChI=1S/C28H26N2O3/c1-32-26-16-11-21(18-27(26)33-2)19-30(20-25-10-6-7-17-29-25)28(31)24-14-12-23(13-15-24)22-8-4-3-5-9-22/h3-18H,19-20H2,1-2H3
InChIKey:
KIYPASMSVWDUKR-UHFFFAOYSA-N

Cite this record

CBID:321775 http://www.chembase.cn/molecule-321775.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-N-(pyridin-2-ylmethyl)benzamide
IUPAC Traditional name
N-[(3,4-dimethoxyphenyl)methyl]-4-phenyl-N-(pyridin-2-ylmethyl)benzamide
Synonyms
N-(3,4-dimethoxybenzyl)-N-(2-pyridinylmethyl)-4-biphenylcarboxamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
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) 4.898207  LogD (pH = 7.4) 4.9156394 
Log P 4.915867  Molar Refractivity 129.5385 cm3
Polarizability 51.156303 Å3 Polar Surface Area 51.66 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.99  LOG S -5.78 
Polar Surface Area 51.66 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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