2-[(1-ethyl-1H-imidazol-2-yl)methyl]-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 335428
• Molecular Formular: C23H32N4O
• Molecular Mass: 380.52638
• Monoisotopic Mass: 380.25761166
• SMILES: C12(C(=O)N(CCCc3ccccc3)CCC2)CN(Cc2n(ccn2)CC)CC1
• Canonical SMILES: CCn1ccnc1CN1CCC2(C1)CCCN(C2=O)CCCc1ccccc1
• InChI: InChI=1S/C23H32N4O/c1-2-26-17-13-24-21(26)18-25-16-12-23(19-25)11-7-15-27(22(23)28)14-6-10-20-8-4-3-5-9-20/h3-5,8-9,13,17H,2,6-7,10-12,14-16,18-19H2,1H3
• InChIKey: HMIRDTBJMIVSQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1-ethyl-1H-imidazol-2-yl)methyl]-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[(1-ethylimidazol-2-yl)methyl]-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(1-ethyl-1H-imidazol-2-yl)methyl]-7-(3-phenylpropyl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.43692976
• LogD (pH = 7.4): 2.1151903
• Log P: 2.859435
• Molar Refractivity: 113.1093 cm^3
• Polarizability: 43.71996 Å^3
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.7
• LOG S: -3.59
• Polar Surface Area: 41.37 Å^2
• Rotatable Bonds: 6