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4-[2-(benzyloxy)benzoyl]-1,8-dioxa-4,11-diazaspiro[5.6]dodecane

ChemBase ID: 340293
Molecular Formular: C22H26N2O4
Molecular Mass: 382.45284
Monoisotopic Mass: 382.18925732
SMILES and InChIs

SMILES:
C(=O)(N1CC2(OCC1)CNCCOC2)c1c(OCc2ccccc2)cccc1
Canonical SMILES:
O=C(c1ccccc1OCc1ccccc1)N1CCOC2(C1)CNCCOC2
InChI:
InChI=1S/C22H26N2O4/c25-21(24-11-13-28-22(16-24)15-23-10-12-26-17-22)19-8-4-5-9-20(19)27-14-18-6-2-1-3-7-18/h1-9,23H,10-17H2
InChIKey:
HPCOSRAJUJYMMS-UHFFFAOYSA-N

Cite this record

CBID:340293 http://www.chembase.cn/molecule-340293.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[2-(benzyloxy)benzoyl]-1,8-dioxa-4,11-diazaspiro[5.6]dodecane
IUPAC Traditional name
4-[2-(benzyloxy)benzoyl]-1,8-dioxa-4,11-diazaspiro[5.6]dodecane
Synonyms
4-[2-(benzyloxy)benzoyl]-1,8-dioxa-4,11-diazaspiro[5.6]dodecane

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 13852533 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) -1.0046283  LogD (pH = 7.4) 0.48649395 
Log P 2.0201716  Molar Refractivity 106.4388 cm3
Polarizability 41.45714 Å3 Polar Surface Area 60.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.56  LOG S -3.32 
Polar Surface Area 60.03 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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