9-(2-methoxyethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

• ChemBase ID: 551940
• Molecular Formular: C18H28N4O2
• Molecular Mass: 332.44052
• Monoisotopic Mass: 332.22122616
• SMILES: N1(C(=O)CCC2(C1)CCN(CC2)CCOC)Cc1ncc(nc1)C
• Canonical SMILES: COCCN1CCC2(CC1)CCC(=O)N(C2)Cc1cnc(cn1)C
• InChI: InChI=1S/C18H28N4O2/c1-15-11-20-16(12-19-15)13-22-14-18(4-3-17(22)23)5-7-21(8-6-18)9-10-24-2/h11-12H,3-10,13-14H2,1-2H3
• InChIKey: NICYNNWGNKIERX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-(2-methoxyethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• IUPAC Traditional name: 9-(2-methoxyethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
• Synonyms: 9-(2-methoxyethyl)-2-[(5-methylpyrazin-2-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -3.6623778
• LogD (pH = 7.4): -2.0609028
• Log P: -0.4702924
• Molar Refractivity: 92.5618 cm^3
• Polarizability: 36.21344 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.13
• LOG S: -2.82
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 5