2-[2-(4,5-dimethyl-1H-imidazol-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 604219
• Molecular Formular: C18H28N4O2
• Molecular Mass: 332.44052
• Monoisotopic Mass: 332.22122616
• SMILES: C12(C(=O)N(CCC2)CCC)CN(C(=O)Cn2c(c(nc2)C)C)CC1
• Canonical SMILES: CCCN1CCCC2(C1=O)CCN(C2)C(=O)Cn1cnc(c1C)C
• InChI: InChI=1S/C18H28N4O2/c1-4-8-20-9-5-6-18(17(20)24)7-10-21(12-18)16(23)11-22-13-19-14(2)15(22)3/h13H,4-12H2,1-3H3
• InChIKey: AYXCHXSHJPZKNV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[2-(4,5-dimethyl-1H-imidazol-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[2-(4,5-dimethylimidazol-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(4,5-dimethyl-1H-imidazol-1-yl)acetyl]-7-propyl-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): -0.5919337
• LogD (pH = 7.4): 0.21074834
• Log P: 0.35901555
• Molar Refractivity: 93.2364 cm^3
• Polarizability: 35.58654 Å^3
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.49
• LOG S: -2.9
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 4