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N-cyclohexyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-{3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}acetamide

ChemBase ID: 510146
Molecular Formular: C20H25N5O3
Molecular Mass: 383.4442
Monoisotopic Mass: 383.19573969
SMILES and InChIs

SMILES:
N1(c2c(OCC1=O)cccn2)CC(=O)N(Cc1cn(nc1)C)C1CCCCC1
Canonical SMILES:
O=C(N(C1CCCCC1)Cc1cnn(c1)C)CN1C(=O)COc2c1nccc2
InChI:
InChI=1S/C20H25N5O3/c1-23-11-15(10-22-23)12-24(16-6-3-2-4-7-16)18(26)13-25-19(27)14-28-17-8-5-9-21-20(17)25/h5,8-11,16H,2-4,6-7,12-14H2,1H3
InChIKey:
IEPBWGMJEXWFHN-UHFFFAOYSA-N

Cite this record

CBID:510146 http://www.chembase.cn/molecule-510146.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-cyclohexyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-{3-oxo-2H,3H,4H-pyrido[3,2-b][1,4]oxazin-4-yl}acetamide
IUPAC Traditional name
N-cyclohexyl-N-[(1-methylpyrazol-4-yl)methyl]-2-{3-oxo-2H-pyrido[3,2-b][1,4]oxazin-4-yl}acetamide
Synonyms
N-cyclohexyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-2-(3-oxo-2,3-dihydro-4H-pyrido[3,2-b][1,4]oxazin-4-yl)acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 40479861 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)
Acid pKa 16.142849  H Acceptors
H Donor LogD (pH = 5.5) 1.0651202 
LogD (pH = 7.4) 1.0654573  Log P 1.0654616 
Molar Refractivity 114.328 cm3 Polarizability 39.517025 Å3
Polar Surface Area 80.56 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.79  LOG S -2.67 
Polar Surface Area 80.56 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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