7-(cyclobutylmethyl)-2-[(2,4,5-trimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 835438
• Molecular Formular: C23H36N2O3
• Molecular Mass: 388.54354
• Monoisotopic Mass: 388.27259302
• SMILES: c1(c(cc(c(c1)OC)OC)OC)CN1CC2(CN(CC3CCC3)CCC2)CC1
• Canonical SMILES: COc1cc(OC)c(cc1CN1CCC2(C1)CCCN(C2)CC1CCC1)OC
• InChI: InChI=1S/C23H36N2O3/c1-26-20-13-22(28-3)21(27-2)12-19(20)15-25-11-9-23(17-25)8-5-10-24(16-23)14-18-6-4-7-18/h12-13,18H,4-11,14-17H2,1-3H3
• InChIKey: SNGVLOYLBTVVQU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(cyclobutylmethyl)-2-[(2,4,5-trimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(cyclobutylmethyl)-2-[(2,4,5-trimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(cyclobutylmethyl)-2-(2,4,5-trimethoxybenzyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.5584716
• LogD (pH = 7.4): 0.20894763
• Log P: 3.214557
• Molar Refractivity: 113.3149 cm^3
• Polarizability: 44.529263 Å^3
• Polar Surface Area: 34.17 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 4.08
• LOG S: -2.05
• Polar Surface Area: 34.17 Å^2
• Rotatable Bonds: 4