7-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 761317
• Molecular Formular: C21H34N2O2
• Molecular Mass: 346.50686
• Monoisotopic Mass: 346.26202834
• SMILES: c1(c(c(OC)ccc1)OC)CN1CC2(CN(CC(C)C)CC2)CCC1
• Canonical SMILES: COc1c(cccc1OC)CN1CCCC2(C1)CCN(C2)CC(C)C
• InChI: InChI=1S/C21H34N2O2/c1-17(2)13-23-12-10-21(16-23)9-6-11-22(15-21)14-18-7-5-8-19(24-3)20(18)25-4/h5,7-8,17H,6,9-16H2,1-4H3
• InChIKey: DIVWVQDEVUQUIG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(2,3-dimethoxyphenyl)methyl]-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(2,3-dimethoxybenzyl)-2-isobutyl-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.50334
• LogD (pH = 7.4): 0.31636107
• Log P: 3.3913856
• Molar Refractivity: 104.0529 cm^3
• Polarizability: 40.91323 Å^3
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 4.01
• LOG S: -2.04
• Polar Surface Area: 24.94 Å^2
• Rotatable Bonds: 3