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methyl 8-{[5-(3-chlorophenyl)furan-2-yl]methyl}-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

ChemBase ID: 321127
Molecular Formular: C24H29ClN2O6
Molecular Mass: 476.94986
Monoisotopic Mass: 476.17141434
SMILES and InChIs

SMILES:
C12(C(CC(=O)N1OCCOC)C(=O)OC)CCN(Cc1oc(cc1)c1cc(Cl)ccc1)CC2
Canonical SMILES:
COCCON1C(=O)CC(C21CCN(CC2)Cc1ccc(o1)c1cccc(c1)Cl)C(=O)OC
InChI:
InChI=1S/C24H29ClN2O6/c1-30-12-13-32-27-22(28)15-20(23(29)31-2)24(27)8-10-26(11-9-24)16-19-6-7-21(33-19)17-4-3-5-18(25)14-17/h3-7,14,20H,8-13,15-16H2,1-2H3
InChIKey:
SQKPVSAMLKRXPJ-UHFFFAOYSA-N

Cite this record

CBID:321127 http://www.chembase.cn/molecule-321127.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 8-{[5-(3-chlorophenyl)furan-2-yl]methyl}-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
IUPAC Traditional name
methyl 8-{[5-(3-chlorophenyl)furan-2-yl]methyl}-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate
Synonyms
methyl 8-{[5-(3-chlorophenyl)-2-furyl]methyl}-1-(2-methoxyethoxy)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylate

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 18.863665  H Acceptors
H Donor LogD (pH = 5.5) -0.552616 
LogD (pH = 7.4) 1.2182026  Log P 2.179306 
Molar Refractivity 122.566 cm3 Polarizability 49.251694 Å3
Polar Surface Area 81.45 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.82  LOG S -5.08 
Polar Surface Area 81.45 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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