8-(3,6-dimethylpyrazin-2-yl)-2-[(2E)-3-phenylprop-2-en-1-yl]-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 857626
• Molecular Formular: C23H28N4O
• Molecular Mass: 376.49462
• Monoisotopic Mass: 376.22631154
• SMILES: c1(N2CCC3(CN(C(=O)C3)C/C=C/c3ccccc3)CC2)nc(cnc1C)C
• Canonical SMILES: O=C1CC2(CN1C/C=C/c1ccccc1)CCN(CC2)c1nc(C)cnc1C
• InChI: InChI=1S/C23H28N4O/c1-18-16-24-19(2)22(25-18)26-13-10-23(11-14-26)15-21(28)27(17-23)12-6-9-20-7-4-3-5-8-20/h3-9,16H,10-15,17H2,1-2H3/b9-6+
• InChIKey: CSLZUHREYOBRTF-RMKNXTFCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 8-(3,6-dimethylpyrazin-2-yl)-2-[(2E)-3-phenylprop-2-en-1-yl]-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 8-(3,6-dimethylpyrazin-2-yl)-2-[(2E)-3-phenylprop-2-en-1-yl]-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 8-(3,6-dimethyl-2-pyrazinyl)-2-[(2E)-3-phenyl-2-propen-1-yl]-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2769117
• LogD (pH = 7.4): 2.2774987
• Log P: 2.277506
• Molar Refractivity: 113.1616 cm^3
• Polarizability: 42.644035 Å^3
• Polar Surface Area: 49.33 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: 3.51
• LOG S: -4.94
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 4