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7-(cyclohexylmethyl)-2-(5-methylpyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one

ChemBase ID: 323813
Molecular Formular: C21H30N4O2
Molecular Mass: 370.4885
Monoisotopic Mass: 370.23687622
SMILES and InChIs

SMILES:
C12(C(=O)N(CC3CCCCC3)CCC2)CN(C(=O)c2ncc(nc2)C)CC1
Canonical SMILES:
Cc1cnc(cn1)C(=O)N1CCC2(C1)CCCN(C2=O)CC1CCCCC1
InChI:
InChI=1S/C21H30N4O2/c1-16-12-23-18(13-22-16)19(26)25-11-9-21(15-25)8-5-10-24(20(21)27)14-17-6-3-2-4-7-17/h12-13,17H,2-11,14-15H2,1H3
InChIKey:
CVYQRTSGFRMQMY-UHFFFAOYSA-N

Cite this record

CBID:323813 http://www.chembase.cn/molecule-323813.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-(cyclohexylmethyl)-2-(5-methylpyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
IUPAC Traditional name
7-(cyclohexylmethyl)-2-(5-methylpyrazine-2-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
Synonyms
7-(cyclohexylmethyl)-2-[(5-methyl-2-pyrazinyl)carbonyl]-2,7-diazaspiro[4.5]decan-6-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) 1.4193034  LogD (pH = 7.4) 1.4193062 
Log P 1.4193062  Molar Refractivity 103.1934 cm3
Polarizability 39.800694 Å3 Polar Surface Area 66.4 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.7  LOG S -3.78 
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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