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3-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-4H-pyrido[1,2-a]pyrimidin-4-one

ChemBase ID: 865958
Molecular Formular: C20H19N3O3
Molecular Mass: 349.38316
Monoisotopic Mass: 349.14264148
SMILES and InChIs

SMILES:
c1(c(=O)n2c(nc1)cccc2)C(=O)N1CC(C1)Oc1c(cccc1C)C
Canonical SMILES:
Cc1cccc(c1OC1CN(C1)C(=O)c1cnc2n(c1=O)cccc2)C
InChI:
InChI=1S/C20H19N3O3/c1-13-6-5-7-14(2)18(13)26-15-11-22(12-15)19(24)16-10-21-17-8-3-4-9-23(17)20(16)25/h3-10,15H,11-12H2,1-2H3
InChIKey:
AWPZFKASVBTMOF-UHFFFAOYSA-N

Cite this record

CBID:865958 http://www.chembase.cn/molecule-865958.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]-4H-pyrido[1,2-a]pyrimidin-4-one
IUPAC Traditional name
3-[3-(2,6-dimethylphenoxy)azetidine-1-carbonyl]pyrido[1,2-a]pyrimidin-4-one
Synonyms
3-{[3-(2,6-dimethylphenoxy)azetidin-1-yl]carbonyl}-4H-pyrido[1,2-a]pyrimidin-4-one

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 66770629 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)
H Acceptors H Donor
LogD (pH = 5.5) 2.3248532  LogD (pH = 7.4) 2.3248534 
Log P 2.3248534  Molar Refractivity 98.9548 cm3
Polarizability 36.876495 Å3 Polar Surface Area 62.21 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.51  LOG S -3.04 
Polar Surface Area 63.91 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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