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2-(2-oxo-1,3-oxazolidin-3-yl)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide

ChemBase ID: 340123
Molecular Formular: C19H20N4O3
Molecular Mass: 352.3871
Monoisotopic Mass: 352.15354052
SMILES and InChIs

SMILES:
c12c(nc(nc2)c2ccccc2)CCCC1NC(=O)CN1C(=O)OCC1
Canonical SMILES:
O=C(NC1CCCc2c1cnc(n2)c1ccccc1)CN1CCOC1=O
InChI:
InChI=1S/C19H20N4O3/c24-17(12-23-9-10-26-19(23)25)21-15-7-4-8-16-14(15)11-20-18(22-16)13-5-2-1-3-6-13/h1-3,5-6,11,15H,4,7-10,12H2,(H,21,24)
InChIKey:
VQDVEBFEJKSPGC-UHFFFAOYSA-N

Cite this record

CBID:340123 http://www.chembase.cn/molecule-340123.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-oxo-1,3-oxazolidin-3-yl)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
IUPAC Traditional name
2-(2-oxo-1,3-oxazolidin-3-yl)-N-(2-phenyl-5,6,7,8-tetrahydroquinazolin-5-yl)acetamide
Synonyms
2-(2-oxo-1,3-oxazolidin-3-yl)-N-(2-phenyl-5,6,7,8-tetrahydro-5-quinazolinyl)acetamide

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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 13.604907  H Acceptors
H Donor LogD (pH = 5.5) 1.9072506 
LogD (pH = 7.4) 1.9074775  Log P 1.9074806 
Molar Refractivity 105.1634 cm3 Polarizability 36.96993 Å3
Polar Surface Area 84.42 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.64  LOG S -3.74 
Polar Surface Area 84.42 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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