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

• ChemBase ID: 704969
• Molecular Formular: C20H24F2N4O
• Molecular Mass: 374.4275664
• Monoisotopic Mass: 374.19181785
• SMILES: c1(C(=O)N2CC3(CN(Cc4c(c(F)ccc4)F)CCC3)CC2)n(ccn1)C
• Canonical SMILES: Cn1ccnc1C(=O)N1CCC2(C1)CCCN(C2)Cc1cccc(c1F)F
• InChI: InChI=1S/C20H24F2N4O/c1-24-11-8-23-18(24)19(27)26-10-7-20(14-26)6-3-9-25(13-20)12-15-4-2-5-16(21)17(15)22/h2,4-5,8,11H,3,6-7,9-10,12-14H2,1H3
• InChIKey: FZMSGFLPQDJNDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• LogD (pH = 5.5): 0.43632984
• LogD (pH = 7.4): 2.021273
• Log P: 2.3116484
• Molar Refractivity: 100.0855 cm^3
• Polarizability: 37.35728 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0

供应商提供(Chembridge)

• Log P: 1.95
• LOG S: -3.64
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 3
• H Acceptors: 4
• H Donor: 0