2-[(2-chloro-6-fluorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane

• ChemBase ID: 773240
• Molecular Formular: C18H26ClFN2O
• Molecular Mass: 340.8632432
• Monoisotopic Mass: 340.17176936
• SMILES: c1(CN2CC3(CN(CCC3)CCOC)CC2)c(F)cccc1Cl
• Canonical SMILES: COCCN1CCCC2(C1)CCN(C2)Cc1c(F)cccc1Cl
• InChI: InChI=1S/C18H26ClFN2O/c1-23-11-10-21-8-3-6-18(13-21)7-9-22(14-18)12-15-16(19)4-2-5-17(15)20/h2,4-5H,3,6-14H2,1H3
• InChIKey: UKVRBZCOHLSBDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-chloro-6-fluorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 2-[(2-chloro-6-fluorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane
• Synonyms: 2-(2-chloro-6-fluorobenzyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.9939893
• LogD (pH = 7.4): 1.1737965
• Log P: 3.162196
• Molar Refractivity: 93.447 cm^3
• Polarizability: 36.24275 Å^3
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.94
• LOG S: -1.77
• Polar Surface Area: 15.71 Å^2
• Rotatable Bonds: 4