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9-[(3-chloro-2,4-difluorophenyl)methyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one

ChemBase ID: 320674
Molecular Formular: C19H23ClF2N2O
Molecular Mass: 368.8485264
Monoisotopic Mass: 368.14669749
SMILES and InChIs

SMILES:
N1(C(=O)CCC2(C1)CCN(Cc1c(c(c(cc1)F)Cl)F)CC2)C1CC1
Canonical SMILES:
O=C1CCC2(CN1C1CC1)CCN(CC2)Cc1ccc(c(c1F)Cl)F
InChI:
InChI=1S/C19H23ClF2N2O/c20-17-15(21)4-1-13(18(17)22)11-23-9-7-19(8-10-23)6-5-16(25)24(12-19)14-2-3-14/h1,4,14H,2-3,5-12H2
InChIKey:
VQTRYXGFHHRMJM-UHFFFAOYSA-N

Cite this record

CBID:320674 http://www.chembase.cn/molecule-320674.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
9-[(3-chloro-2,4-difluorophenyl)methyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
IUPAC Traditional name
9-[(3-chloro-2,4-difluorophenyl)methyl]-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one
Synonyms
9-(3-chloro-2,4-difluorobenzyl)-2-cyclopropyl-2,9-diazaspiro[5.5]undecan-3-one

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)
H Acceptors H Donor
LogD (pH = 5.5) 1.6586138  LogD (pH = 7.4) 3.01271 
Log P 3.1541991  Molar Refractivity 94.2116 cm3
Polarizability 36.13164 Å3 Polar Surface Area 23.55 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.27  LOG S -4.68 
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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