1-{7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl}-2-(1H-imidazol-1-yl)ethan-1-one

• ChemBase ID: 394037
• Molecular Formular: C20H25FN4O
• Molecular Mass: 356.4371032
• Monoisotopic Mass: 356.20123966
• SMILES: N1(C(=O)Cn2cncc2)CC2(CN(Cc3c(F)cccc3)CCC2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2)Cc1ccccc1F)Cn1ccnc1
• InChI: InChI=1S/C20H25FN4O/c21-18-5-2-1-4-17(18)12-23-9-3-6-20(14-23)7-10-25(15-20)19(26)13-24-11-8-22-16-24/h1-2,4-5,8,11,16H,3,6-7,9-10,12-15H2
• InChIKey: QWIVTZJQKFYQSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-{7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl}-2-(1H-imidazol-1-yl)ethan-1-one
• IUPAC Traditional name: 1-{7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-2-yl}-2-(imidazol-1-yl)ethanone
• Synonyms: 7-(2-fluorobenzyl)-2-(1H-imidazol-1-ylacetyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.4264315
• LogD (pH = 7.4): 0.8068625
• Log P: 1.611802
• Molar Refractivity: 99.2203 cm^3
• Polarizability: 37.927532 Å^3
• Polar Surface Area: 41.37 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: 2.19
• LOG S: -2.22
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 4