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3573-06-6 molecular structure
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(NE)-4-(diphenylmethyl)-N-(pyridin-2-ylmethylidene)piperazin-1-amine

ChemBase ID: 179818
Molecular Formular: C23H24N4
Molecular Mass: 356.46346
Monoisotopic Mass: 356.20009679
SMILES and InChIs

SMILES:
N1(C(c2ccccc2)c2ccccc2)CCN(/N=C/c2ncccc2)CC1
Canonical SMILES:
c1ccc(cc1)C(c1ccccc1)N1CCN(CC1)/N=C/c1ccccn1
InChI:
InChI=1S/C23H24N4/c1-3-9-20(10-4-1)23(21-11-5-2-6-12-21)26-15-17-27(18-16-26)25-19-22-13-7-8-14-24-22/h1-14,19,23H,15-18H2/b25-19+
InChIKey:
ZKFVCFICTZUOGA-NCELDCMTSA-N

Cite this record

CBID:179818 http://www.chembase.cn/molecule-179818.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(NE)-4-(diphenylmethyl)-N-(pyridin-2-ylmethylidene)piperazin-1-amine
IUPAC Traditional name
(NE)-4-(diphenylmethyl)-N-(pyridin-2-ylmethylidene)piperazin-1-amine
Synonyms
SC-12757
CAS Number
3573-06-6
PubChem SID
164235728
PubChem CID
5726100

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
InterBioScreen
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Data Source Data ID
PubChem 5726100 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.3563094  LogD (pH = 7.4) 4.007114 
Log P 4.380408  Molar Refractivity 110.1959 cm3
Polarizability 42.675503 Å3 Polar Surface Area 31.73 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Application(s)
Anticonvulsant expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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