7-(2-methoxyethyl)-2-[(1-methyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 722638
• Molecular Formular: C16H28N4O
• Molecular Mass: 292.41972
• Monoisotopic Mass: 292.22631154
• SMILES: c1(cn(nc1)C)CN1CC2(CN(CCC2)CCOC)CC1
• Canonical SMILES: COCCN1CCCC2(C1)CCN(C2)Cc1cnn(c1)C
• InChI: InChI=1S/C16H28N4O/c1-18-11-15(10-17-18)12-20-7-5-16(14-20)4-3-6-19(13-16)8-9-21-2/h10-11H,3-9,12-14H2,1-2H3
• InChIKey: GEJXDUSIVKBTNR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-methoxyethyl)-2-[(1-methyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(2-methoxyethyl)-2-[(1-methylpyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(2-methoxyethyl)-2-[(1-methyl-1H-pyrazol-4-yl)methyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -4.1097865
• LogD (pH = 7.4): -1.4160373
• Log P: 0.84330946
• Molar Refractivity: 97.3292 cm^3
• Polarizability: 33.27937 Å^3
• Polar Surface Area: 33.53 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.2
• LOG S: -0.1
• Polar Surface Area: 33.53 Å^2
• Rotatable Bonds: 4