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2-(3-methylbut-2-en-1-yl)-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one

ChemBase ID: 322641
Molecular Formular: C18H24N4O2
Molecular Mass: 328.40876
Monoisotopic Mass: 328.18992603
SMILES and InChIs

SMILES:
N1(C(=O)CC2(C1)CCN(C(=O)c1nccnc1)CC2)CC=C(C)C
Canonical SMILES:
CC(=CCN1CC2(CC1=O)CCN(CC2)C(=O)c1cnccn1)C
InChI:
InChI=1S/C18H24N4O2/c1-14(2)3-8-22-13-18(11-16(22)23)4-9-21(10-5-18)17(24)15-12-19-6-7-20-15/h3,6-7,12H,4-5,8-11,13H2,1-2H3
InChIKey:
XQOXUFADTUDDSK-UHFFFAOYSA-N

Cite this record

CBID:322641 http://www.chembase.cn/molecule-322641.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-methylbut-2-en-1-yl)-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
IUPAC Traditional name
2-(3-methylbut-2-en-1-yl)-8-(pyrazine-2-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
Synonyms
2-(3-methyl-2-buten-1-yl)-8-(2-pyrazinylcarbonyl)-2,8-diazaspiro[4.5]decan-3-one

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) 0.022963867  LogD (pH = 7.4) 0.022964474 
Log P 0.022964481  Molar Refractivity 91.9233 cm3
Polarizability 34.84137 Å3 Polar Surface Area 66.4 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.75  LOG S -2.23 
Polar Surface Area 66.4 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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