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

• ChemBase ID: 864905
• Molecular Formular: C18H26N2O2
• Molecular Mass: 302.41124
• Monoisotopic Mass: 302.19942808
• SMILES: N1(C(=O)c2ccccc2)CC2(CN(CCC2)CCOC)CC1
• Canonical SMILES: COCCN1CCCC2(C1)CCN(C2)C(=O)c1ccccc1
• InChI: InChI=1S/C18H26N2O2/c1-22-13-12-19-10-5-8-18(14-19)9-11-20(15-18)17(21)16-6-3-2-4-7-16/h2-4,6-7H,5,8-15H2,1H3
• InChIKey: CRCOXRKMVSUBEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.3034666
• LogD (pH = 7.4): 0.37822863
• Log P: 1.772045
• Molar Refractivity: 88.7549 cm^3
• Polarizability: 34.177387 Å^3
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.93
• LOG S: -2.2
• Polar Surface Area: 32.78 Å^2
• Rotatable Bonds: 4