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2-methyl-8-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-2,8-diazaspiro[4.5]decan-3-one

ChemBase ID: 470790
Molecular Formular: C19H27N3O4
Molecular Mass: 361.43538
Monoisotopic Mass: 361.20015636
SMILES and InChIs

SMILES:
c1(C(=O)N2CCC3(CN(C(=O)C3)C)CC2)cc(oc1)CN1CCOCC1
Canonical SMILES:
O=C1CC2(CN1C)CCN(CC2)C(=O)c1coc(c1)CN1CCOCC1
InChI:
InChI=1S/C19H27N3O4/c1-20-14-19(11-17(20)23)2-4-22(5-3-19)18(24)15-10-16(26-13-15)12-21-6-8-25-9-7-21/h10,13H,2-9,11-12,14H2,1H3
InChIKey:
QFYXDNLJWUGKTO-UHFFFAOYSA-N

Cite this record

CBID:470790 http://www.chembase.cn/molecule-470790.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-8-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
IUPAC Traditional name
2-methyl-8-[5-(morpholin-4-ylmethyl)furan-3-carbonyl]-2,8-diazaspiro[4.5]decan-3-one
Synonyms
2-methyl-8-[5-(4-morpholinylmethyl)-3-furoyl]-2,8-diazaspiro[4.5]decan-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) -0.8356619  LogD (pH = 7.4) -0.51182437 
Log P -0.50564414  Molar Refractivity 97.499 cm3
Polarizability 37.10466 Å3 Polar Surface Area 66.23 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.83  LOG S -2.44 
Polar Surface Area 66.23 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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