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1-(1,2-diphenylethyl)-5-(2-{[(3-methoxyphenyl)methyl]amino}ethyl)pyrrolidin-2-one

ChemBase ID: 323107
Molecular Formular: C28H32N2O2
Molecular Mass: 428.56588
Monoisotopic Mass: 428.24637827
SMILES and InChIs

SMILES:
N1(C(Cc2ccccc2)c2ccccc2)C(=O)CCC1CCNCc1cc(OC)ccc1
Canonical SMILES:
COc1cccc(c1)CNCCC1CCC(=O)N1C(c1ccccc1)Cc1ccccc1
InChI:
InChI=1S/C28H32N2O2/c1-32-26-14-8-11-23(19-26)21-29-18-17-25-15-16-28(31)30(25)27(24-12-6-3-7-13-24)20-22-9-4-2-5-10-22/h2-14,19,25,27,29H,15-18,20-21H2,1H3
InChIKey:
BQWYVFWSQAYIOP-UHFFFAOYSA-N

Cite this record

CBID:323107 http://www.chembase.cn/molecule-323107.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(1,2-diphenylethyl)-5-(2-{[(3-methoxyphenyl)methyl]amino}ethyl)pyrrolidin-2-one
IUPAC Traditional name
1-(1,2-diphenylethyl)-5-(2-{[(3-methoxyphenyl)methyl]amino}ethyl)pyrrolidin-2-one
Synonyms
1-(1,2-diphenylethyl)-5-{2-[(3-methoxybenzyl)amino]ethyl}-2-pyrrolidinone

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) 1.5867652  LogD (pH = 7.4) 2.6607327 
Log P 4.7635665  Molar Refractivity 129.1408 cm3
Polarizability 50.6572 Å3 Polar Surface Area 41.57 Å2
Rotatable Bonds 10  Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 4.87  LOG S -3.23 
Polar Surface Area 41.57 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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