2-(1H-imidazol-1-yl)-1-[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]ethan-1-one

• ChemBase ID: 376973
• Molecular Formular: C22H30N4O
• Molecular Mass: 366.4998
• Monoisotopic Mass: 366.2419616
• SMILES: N1(C(=O)Cn2cncc2)CC2(CN(CCCc3ccccc3)CCC2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2)CCCc1ccccc1)Cn1cncc1
• InChI: InChI=1S/C22H30N4O/c27-21(16-25-15-11-23-19-25)26-14-10-22(18-26)9-5-13-24(17-22)12-4-8-20-6-2-1-3-7-20/h1-3,6-7,11,15,19H,4-5,8-10,12-14,16-18H2
• InChIKey: JRJWGJFLJBSXHF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(1H-imidazol-1-yl)-1-[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]ethan-1-one
• IUPAC Traditional name: 2-(imidazol-1-yl)-1-[7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-2-yl]ethanone
• Synonyms: 2-(1H-imidazol-1-ylacetyl)-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decane

CALCULATED PROPERTIES

供应商提供(Chembridge)

• LOG S: -3.06
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6
• H Acceptors: 4
• H Donor: 0
• Log P: 2.61

JChem

• Molar Refractivity: 108.3599 cm^3
• Polarizability: 41.882427 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -1.6898464
• LogD (pH = 7.4): 0.107218094
• Log P: 2.2023299