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2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]acetamide

ChemBase ID: 370697
Molecular Formular: C20H23N3O2
Molecular Mass: 337.41552
Monoisotopic Mass: 337.17902699
SMILES and InChIs

SMILES:
N1(C(C(=O)NCC1)CC(=O)N)CC(c1ccccc1)c1ccccc1
Canonical SMILES:
NC(=O)CC1N(CCNC1=O)CC(c1ccccc1)c1ccccc1
InChI:
InChI=1S/C20H23N3O2/c21-19(24)13-18-20(25)22-11-12-23(18)14-17(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-10,17-18H,11-14H2,(H2,21,24)(H,22,25)
InChIKey:
BWNTVILDMZCVNG-UHFFFAOYSA-N

Cite this record

CBID:370697 http://www.chembase.cn/molecule-370697.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]acetamide
IUPAC Traditional name
2-[1-(2,2-diphenylethyl)-3-oxopiperazin-2-yl]acetamide
Synonyms
2-[1-(2,2-diphenylethyl)-3-oxo-2-piperazinyl]acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 18308925 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)
Acid pKa 14.341779  H Acceptors
H Donor LogD (pH = 5.5) -0.4292664 
LogD (pH = 7.4) 1.200898  Log P 1.5452821 
Molar Refractivity 97.1083 cm3 Polarizability 37.790867 Å3
Polar Surface Area 75.43 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.55  LOG S -2.13 
Polar Surface Area 75.43 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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