2-(3-phenylpropyl)-8-[(1-propyl-1H-imidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 525893
• Molecular Formular: C24H34N4O
• Molecular Mass: 394.55296
• Monoisotopic Mass: 394.27326173
• SMILES: c1(n(ccn1)CCC)CN1CCC2(CN(C(=O)C2)CCCc2ccccc2)CC1
• Canonical SMILES: CCCn1ccnc1CN1CCC2(CC1)CC(=O)N(C2)CCCc1ccccc1
• InChI: InChI=1S/C24H34N4O/c1-2-13-27-17-12-25-22(27)19-26-15-10-24(11-16-26)18-23(29)28(20-24)14-6-9-21-7-4-3-5-8-21/h3-5,7-8,12,17H,2,6,9-11,13-16,18-20H2,1H3
• InChIKey: OIPHKZCDTXUVNW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-phenylpropyl)-8-[(1-propyl-1H-imidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-(3-phenylpropyl)-8-[(1-propylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-(3-phenylpropyl)-8-[(1-propyl-1H-imidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.2222478
• LogD (pH = 7.4): 2.6399791
• Log P: 2.870023
• Molar Refractivity: 117.5815 cm^3
• Polarizability: 45.563957 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 3.77
• LOG S: -5.3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 8