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7-[(4-fluorophenyl)methyl]-2-[3-(methylsulfanyl)propyl]-2,7-diazaspiro[4.5]decan-6-one

ChemBase ID: 865665
Molecular Formular: C19H27FN2OS
Molecular Mass: 350.4938832
Monoisotopic Mass: 350.18281271
SMILES and InChIs

SMILES:
C12(C(=O)N(Cc3ccc(F)cc3)CCC2)CN(CC1)CCCSC
Canonical SMILES:
CSCCCN1CCC2(C1)CCCN(C2=O)Cc1ccc(cc1)F
InChI:
InChI=1S/C19H27FN2OS/c1-24-13-3-10-21-12-9-19(15-21)8-2-11-22(18(19)23)14-16-4-6-17(20)7-5-16/h4-7H,2-3,8-15H2,1H3
InChIKey:
GZPLOKRIVPFACK-UHFFFAOYSA-N

Cite this record

CBID:865665 http://www.chembase.cn/molecule-865665.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-[(4-fluorophenyl)methyl]-2-[3-(methylsulfanyl)propyl]-2,7-diazaspiro[4.5]decan-6-one
IUPAC Traditional name
7-[(4-fluorophenyl)methyl]-2-[3-(methylsulfanyl)propyl]-2,7-diazaspiro[4.5]decan-6-one
Synonyms
7-(4-fluorobenzyl)-2-[3-(methylthio)propyl]-2,7-diazaspiro[4.5]decan-6-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 66718181 external link Add to cart
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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) -0.45913863  LogD (pH = 7.4) 0.26848444 
Log P 3.01749  Molar Refractivity 99.2673 cm3
Polarizability 38.253735 Å3 Polar Surface Area 23.55 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.11  LOG S -3.38 
Polar Surface Area 23.55 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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