7-[(2,3-difluorophenyl)methyl]-2-[(1-methyl-1H-imidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane

• ChemBase ID: 349238
• Molecular Formular: C20H26F2N4
• Molecular Mass: 360.4440464
• Monoisotopic Mass: 360.21255329
• SMILES: c1(n(ccn1)C)CN1CC2(CN(Cc3c(c(F)ccc3)F)CCC2)CC1
• Canonical SMILES: Cn1ccnc1CN1CCC2(C1)CCCN(C2)Cc1cccc(c1F)F
• InChI: InChI=1S/C20H26F2N4/c1-24-11-8-23-18(24)13-26-10-7-20(15-26)6-3-9-25(14-20)12-16-4-2-5-17(21)19(16)22/h2,4-5,8,11H,3,6-7,9-10,12-15H2,1H3
• InChIKey: UXXFBKOHYYVYGS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-[(2,3-difluorophenyl)methyl]-2-[(1-methyl-1H-imidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane
• IUPAC Traditional name: 7-[(2,3-difluorophenyl)methyl]-2-[(1-methylimidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane
• Synonyms: 7-(2,3-difluorobenzyl)-2-[(1-methyl-1H-imidazol-2-yl)methyl]-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.6313593
• LogD (pH = 7.4): 1.7481897
• Log P: 2.6506743
• Molar Refractivity: 99.6062 cm^3
• Polarizability: 37.82105 Å^3
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.87
• LOG S: -2.4
• Polar Surface Area: 24.3 Å^2
• Rotatable Bonds: 4