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methyl 2-{2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl}propanoate

ChemBase ID: 321394
Molecular Formular: C19H24F2N2O3
Molecular Mass: 366.4022664
Monoisotopic Mass: 366.17549908
SMILES and InChIs

SMILES:
N1(C(=O)CC2(C1)CCN(C(C(=O)OC)C)CC2)Cc1cc(c(cc1)F)F
Canonical SMILES:
COC(=O)C(N1CCC2(CC1)CC(=O)N(C2)Cc1ccc(c(c1)F)F)C
InChI:
InChI=1S/C19H24F2N2O3/c1-13(18(25)26-2)22-7-5-19(6-8-22)10-17(24)23(12-19)11-14-3-4-15(20)16(21)9-14/h3-4,9,13H,5-8,10-12H2,1-2H3
InChIKey:
KEFXDFQOPWEIFP-UHFFFAOYSA-N

Cite this record

CBID:321394 http://www.chembase.cn/molecule-321394.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl 2-{2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl}propanoate
IUPAC Traditional name
methyl 2-{2-[(3,4-difluorophenyl)methyl]-3-oxo-2,8-diazaspiro[4.5]decan-8-yl}propanoate
Synonyms
methyl 2-[2-(3,4-difluorobenzyl)-3-oxo-2,8-diazaspiro[4.5]dec-8-yl]propanoate

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11143484 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) 0.36209333  LogD (pH = 7.4) 1.6982762 
Log P 1.8326627  Molar Refractivity 92.9422 cm3
Polarizability 35.7284 Å3 Polar Surface Area 49.85 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.4  LOG S -3.92 
Polar Surface Area 49.85 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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