7-(2-methoxyethyl)-2-{[5-methyl-2-(1H-pyrazol-1-yl)phenyl]methyl}-2,7-diazaspiro[4.5]decane

• ChemBase ID: 765605
• Molecular Formular: C22H32N4O
• Molecular Mass: 368.51568
• Monoisotopic Mass: 368.25761166
• SMILES: c1(c(n2nccc2)ccc(c1)C)CN1CC2(CN(CCC2)CCOC)CC1
• Canonical SMILES: COCCN1CCCC2(C1)CCN(C2)Cc1cc(C)ccc1n1cccn1
• InChI: InChI=1S/C22H32N4O/c1-19-5-6-21(26-11-4-9-23-26)20(15-19)16-25-12-8-22(18-25)7-3-10-24(17-22)13-14-27-2/h4-6,9,11,15H,3,7-8,10,12-14,16-18H2,1-2H3
• InChIKey: ZVJIDYXNSRETTP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-methoxyethyl)-2-{[5-methyl-2-(1H-pyrazol-1-yl)phenyl]methyl}-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(2-methoxyethyl)-2-{[5-methyl-2-(pyrazol-1-yl)phenyl]methyl}-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(2-methoxyethyl)-2-[5-methyl-2-(1H-pyrazol-1-yl)benzyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -2.4644496
• LogD (pH = 7.4): 0.14725761
• Log P: 3.0146892
• Molar Refractivity: 111.8287 cm^3
• Polarizability: 43.580013 Å^3
• Polar Surface Area: 33.53 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 3.64
• LOG S: -1.81
• Polar Surface Area: 33.53 Å^2
• Rotatable Bonds: 5