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2-[(3-methylpyrazin-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

ChemBase ID: 470626
Molecular Formular: C19H28N4O2
Molecular Mass: 344.45122
Monoisotopic Mass: 344.22122616
SMILES and InChIs

SMILES:
C1(=O)C2(CN(Cc3nccnc3C)CC2)CCCN1C1CCOCC1
Canonical SMILES:
O=C1N(CCCC21CCN(C2)Cc1nccnc1C)C1CCOCC1
InChI:
InChI=1S/C19H28N4O2/c1-15-17(21-8-7-20-15)13-22-10-6-19(14-22)5-2-9-23(18(19)24)16-3-11-25-12-4-16/h7-8,16H,2-6,9-14H2,1H3
InChIKey:
RQMYAPRKILRYLK-UHFFFAOYSA-N

Cite this record

CBID:470626 http://www.chembase.cn/molecule-470626.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(3-methylpyrazin-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
IUPAC Traditional name
2-[(3-methylpyrazin-2-yl)methyl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
Synonyms
2-[(3-methyl-2-pyrazinyl)methyl]-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 33986167 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) -2.8961217  LogD (pH = 7.4) -1.128416 
Log P -0.39476508  Molar Refractivity 95.4446 cm3
Polarizability 37.32823 Å3 Polar Surface Area 58.56 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.0  LOG S -3.02 
Polar Surface Area 58.56 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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