7-(2-methoxyethyl)-2-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 315374
• Molecular Formular: C20H32N2O
• Molecular Mass: 316.48088
• Monoisotopic Mass: 316.25146365
• SMILES: C12(CN(CC1)CCCc1ccccc1)CN(CCC2)CCOC
• Canonical SMILES: COCCN1CCCC2(C1)CCN(C2)CCCc1ccccc1
• InChI: InChI=1S/C20H32N2O/c1-23-16-15-22-13-6-10-20(18-22)11-14-21(17-20)12-5-9-19-7-3-2-4-8-19/h2-4,7-8H,5-6,9-18H2,1H3
• InChIKey: BTWQPGQIUJNHFZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(2-methoxyethyl)-2-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-(2-methoxyethyl)-2-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(2-methoxyethyl)-2-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -2.500521
• LogD (pH = 7.4): -0.08738662
• Log P: 3.1486793
• Molar Refractivity: 97.7818 cm^3
• Polarizability: 38.359215 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.19
• LOG S: -1.83
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 6