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8-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

ChemBase ID: 340249
Molecular Formular: C26H32ClN3O4
Molecular Mass: 486.00298
Monoisotopic Mass: 485.2081342
SMILES and InChIs

SMILES:
N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1ccc(Cl)cc1)CCCOC)Cc1ccc(cc1)OC
Canonical SMILES:
COCCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1ccc(cc1)Cl)Cc1ccc(cc1)OC
InChI:
InChI=1S/C26H32ClN3O4/c1-33-17-3-14-30-25(32)29(19-21-6-10-23(34-2)11-7-21)24(31)26(30)12-15-28(16-13-26)18-20-4-8-22(27)9-5-20/h4-11H,3,12-19H2,1-2H3
InChIKey:
FANJRBZKZPJNCZ-UHFFFAOYSA-N

Cite this record

CBID:340249 http://www.chembase.cn/molecule-340249.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
IUPAC Traditional name
8-[(4-chlorophenyl)methyl]-3-[(4-methoxyphenyl)methyl]-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
Synonyms
8-(4-chlorobenzyl)-3-(4-methoxybenzyl)-1-(3-methoxypropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

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)
Polar Surface Area 62.32 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) 0.6993424 
LogD (pH = 7.4) 2.4627814  Log P 3.1603887 
Molar Refractivity 132.7325 cm3 Polarizability 51.430412 Å3
Polar Surface Area 62.32 Å2 Rotatable Bonds
H Acceptors H Donor
Log P 3.6  LOG S -3.9 

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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