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8-(2,1,3-benzoxadiazol-4-ylmethyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

ChemBase ID: 450181
Molecular Formular: C16H20N4O3
Molecular Mass: 316.355
Monoisotopic Mass: 316.15354052
SMILES and InChIs

SMILES:
C1(=O)N(CC2(O1)CCN(Cc1c3c(non3)ccc1)CC2)CC
Canonical SMILES:
CCN1CC2(OC1=O)CCN(CC2)Cc1cccc2c1non2
InChI:
InChI=1S/C16H20N4O3/c1-2-20-11-16(22-15(20)21)6-8-19(9-7-16)10-12-4-3-5-13-14(12)18-23-17-13/h3-5H,2,6-11H2,1H3
InChIKey:
TZMVCHOWJLDYQD-UHFFFAOYSA-N

Cite this record

CBID:450181 http://www.chembase.cn/molecule-450181.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
8-(2,1,3-benzoxadiazol-4-ylmethyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
IUPAC Traditional name
8-(2,1,3-benzoxadiazol-4-ylmethyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
Synonyms
8-(2,1,3-benzoxadiazol-4-ylmethyl)-3-ethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

供应商提供(Chembridge) JChem
H Acceptors H Donor
Log P 2.0  LOG S -2.21 
Polar Surface Area 71.7 Å2 Rotatable Bonds
H Donor LogD (pH = 5.5) -1.5227176 
LogD (pH = 7.4) 0.24481323  Log P 1.2467086 
Molar Refractivity 84.6926 cm3 Polarizability 33.36536 Å3
Polar Surface Area 71.7 Å2 Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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