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1-ethyl-4-{4-[(2-methylphenyl)sulfanyl]piperidine-1-carbonyl}-1,2-dihydropyridin-2-one

ChemBase ID: 321605
Molecular Formular: C20H24N2O2S
Molecular Mass: 356.48176
Monoisotopic Mass: 356.15584902
SMILES and InChIs

SMILES:
c1(C(=O)N2CCC(Sc3c(C)cccc3)CC2)cc(=O)n(cc1)CC
Canonical SMILES:
CCn1ccc(cc1=O)C(=O)N1CCC(CC1)Sc1ccccc1C
InChI:
InChI=1S/C20H24N2O2S/c1-3-21-11-8-16(14-19(21)23)20(24)22-12-9-17(10-13-22)25-18-7-5-4-6-15(18)2/h4-8,11,14,17H,3,9-10,12-13H2,1-2H3
InChIKey:
UGHDGDKWBMIIAA-UHFFFAOYSA-N

Cite this record

CBID:321605 http://www.chembase.cn/molecule-321605.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-ethyl-4-{4-[(2-methylphenyl)sulfanyl]piperidine-1-carbonyl}-1,2-dihydropyridin-2-one
IUPAC Traditional name
1-ethyl-4-{4-[(2-methylphenyl)sulfanyl]piperidine-1-carbonyl}pyridin-2-one
Synonyms
1-ethyl-4-({4-[(2-methylphenyl)thio]-1-piperidinyl}carbonyl)-2(1H)-pyridinone

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11173491 external link Add to cart
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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) 2.4167733  LogD (pH = 7.4) 2.4167743 
Log P 2.4167743  Molar Refractivity 104.7249 cm3
Polarizability 39.553883 Å3 Polar Surface Area 40.62 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.63  LOG S -4.04 
Polar Surface Area 42.31 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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