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8-[(3,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

ChemBase ID: 341699
Molecular Formular: C25H30F2N4O3
Molecular Mass: 472.5275064
Monoisotopic Mass: 472.22859728
SMILES and InChIs

SMILES:
N1(C(=O)N(C2(C1=O)CCN(CC2)Cc1cc(c(cc1)F)F)CCOC)CCCc1cnccc1
Canonical SMILES:
COCCN1C(=O)N(C(=O)C21CCN(CC2)Cc1ccc(c(c1)F)F)CCCc1cccnc1
InChI:
InChI=1S/C25H30F2N4O3/c1-34-15-14-31-24(33)30(11-3-5-19-4-2-10-28-17-19)23(32)25(31)8-12-29(13-9-25)18-20-6-7-21(26)22(27)16-20/h2,4,6-7,10,16-17H,3,5,8-9,11-15,18H2,1H3
InChIKey:
ABRSYKKOWHJBSE-UHFFFAOYSA-N

Cite this record

CBID:341699 http://www.chembase.cn/molecule-341699.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-[(3,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
IUPAC Traditional name
8-[(3,4-difluorophenyl)methyl]-1-(2-methoxyethyl)-3-[3-(pyridin-3-yl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
Synonyms
8-(3,4-difluorobenzyl)-1-(2-methoxyethyl)-3-[3-(3-pyridinyl)propyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 14055201 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

供应商提供(Chembridge) JChem
Polar Surface Area 65.98 Å2 Rotatable Bonds
H Acceptors H Donor
Log P 2.29  LOG S -4.09 
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) 0.27799496  LogD (pH = 7.4) 2.042723 
Log P 2.455017  Molar Refractivity 124.231 cm3
Polarizability 47.368977 Å3 Polar Surface Area 65.98 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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