9-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 835481
• Molecular Formular: C18H30N4O2
• Molecular Mass: 334.4564
• Monoisotopic Mass: 334.23687622
• SMILES: c1(n(ccn1)CC)CN1CCC2(CN(C(=O)CC2)CCOC)CC1
• Canonical SMILES: COCCN1CC2(CCN(CC2)Cc2nccn2CC)CCC1=O
• InChI: InChI=1S/C18H30N4O2/c1-3-21-11-8-19-16(21)14-20-9-6-18(7-10-20)5-4-17(23)22(15-18)12-13-24-2/h8,11H,3-7,9-10,12-15H2,1-2H3
• InChIKey: PCHJBEHJRBWWDU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 9-[(1-ethylimidazol-2-yl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 9-[(1-ethyl-1H-imidazol-2-yl)methyl]-2-(2-methoxyethyl)-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -1.5462649
• LogD (pH = 7.4): -0.03271755
• Log P: 0.28739086
• Molar Refractivity: 94.7334 cm^3
• Polarizability: 36.657825 Å^3
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 0.86
• LOG S: -2.37
• Polar Surface Area: 50.6 Å^2
• Rotatable Bonds: 6