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2-cyclopropyl-9-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-phenyl-2,9-diazaspiro[5.5]undecane

ChemBase ID: 340619
Molecular Formular: C22H30N4O
Molecular Mass: 366.4998
Monoisotopic Mass: 366.2419616
SMILES and InChIs

SMILES:
c1(nc(on1)CC)N1CCC2(CN(C3CC3)CC(C2)c2ccccc2)CC1
Canonical SMILES:
CCc1onc(n1)N1CCC2(CC1)CN(CC(C2)c1ccccc1)C1CC1
InChI:
InChI=1S/C22H30N4O/c1-2-20-23-21(24-27-20)25-12-10-22(11-13-25)14-18(17-6-4-3-5-7-17)15-26(16-22)19-8-9-19/h3-7,18-19H,2,8-16H2,1H3
InChIKey:
SBTOFLAXCLPACA-UHFFFAOYSA-N

Cite this record

CBID:340619 http://www.chembase.cn/molecule-340619.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-cyclopropyl-9-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-phenyl-2,9-diazaspiro[5.5]undecane
IUPAC Traditional name
2-cyclopropyl-9-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-phenyl-2,9-diazaspiro[5.5]undecane
Synonyms
2-cyclopropyl-9-(5-ethyl-1,2,4-oxadiazol-3-yl)-4-phenyl-2,9-diazaspiro[5.5]undecane

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) 0.6823768  LogD (pH = 7.4) 1.9824977 
Log P 4.0624866  Molar Refractivity 109.4307 cm3
Polarizability 41.12764 Å3 Polar Surface Area 45.4 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.05  LOG S -3.47 
Polar Surface Area 45.4 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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