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2-[(3-methoxyphenyl)methyl]-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-3-one

ChemBase ID: 322905
Molecular Formular: C19H23N3O2S
Molecular Mass: 357.46982
Monoisotopic Mass: 357.15109799
SMILES and InChIs

SMILES:
N1(C(=O)CC2(C1)CCN(c1nccs1)CC2)Cc1cc(OC)ccc1
Canonical SMILES:
COc1cccc(c1)CN1CC2(CC1=O)CCN(CC2)c1nccs1
InChI:
InChI=1S/C19H23N3O2S/c1-24-16-4-2-3-15(11-16)13-22-14-19(12-17(22)23)5-8-21(9-6-19)18-20-7-10-25-18/h2-4,7,10-11H,5-6,8-9,12-14H2,1H3
InChIKey:
ZANGEYSJZZRHKG-UHFFFAOYSA-N

Cite this record

CBID:322905 http://www.chembase.cn/molecule-322905.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(3-methoxyphenyl)methyl]-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-3-one
IUPAC Traditional name
2-[(3-methoxyphenyl)methyl]-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-3-one
Synonyms
2-(3-methoxybenzyl)-8-(1,3-thiazol-2-yl)-2,8-diazaspiro[4.5]decan-3-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) 2.4293103  LogD (pH = 7.4) 2.4310863 
Log P 2.431109  Molar Refractivity 98.8052 cm3
Polarizability 37.681732 Å3 Polar Surface Area 45.67 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.84  LOG S -3.38 
Polar Surface Area 45.67 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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