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7-[(2,3-dimethoxyphenyl)methyl]-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one

ChemBase ID: 340054
Molecular Formular: C23H29N3O3
Molecular Mass: 395.49466
Monoisotopic Mass: 395.2208918
SMILES and InChIs

SMILES:
C12(C(=O)N(Cc3c(c(OC)ccc3)OC)CCC2)CN(Cc2cnccc2)CC1
Canonical SMILES:
COc1c(cccc1OC)CN1CCCC2(C1=O)CCN(C2)Cc1cccnc1
InChI:
InChI=1S/C23H29N3O3/c1-28-20-8-3-7-19(21(20)29-2)16-26-12-5-9-23(22(26)27)10-13-25(17-23)15-18-6-4-11-24-14-18/h3-4,6-8,11,14H,5,9-10,12-13,15-17H2,1-2H3
InChIKey:
MADQXKGMGMYUPA-UHFFFAOYSA-N

Cite this record

CBID:340054 http://www.chembase.cn/molecule-340054.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
7-[(2,3-dimethoxyphenyl)methyl]-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
IUPAC Traditional name
7-[(2,3-dimethoxyphenyl)methyl]-2-(pyridin-3-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
Synonyms
7-(2,3-dimethoxybenzyl)-2-(3-pyridinylmethyl)-2,7-diazaspiro[4.5]decan-6-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) -1.1978363  LogD (pH = 7.4) 0.3380657 
Log P 2.0580099  Molar Refractivity 112.5957 cm3
Polarizability 43.746315 Å3 Polar Surface Area 54.9 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.75  LOG S -2.05 
Polar Surface Area 54.9 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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