2-[(2E)-3-phenylprop-2-en-1-yl]-8-{spiro[2.3]hexane-1-carbonyl}-2,8-diazaspiro[4.5]decan-3-one

• ChemBase ID: 693862
• Molecular Formular: C24H30N2O2
• Molecular Mass: 378.5072
• Monoisotopic Mass: 378.23072821
• SMILES: C1(C2(C1)CCC2)C(=O)N1CCC2(CN(C(=O)C2)C/C=C/c2ccccc2)CC1
• Canonical SMILES: O=C1CC2(CN1C/C=C/c1ccccc1)CCN(CC2)C(=O)C1CC21CCC2
• InChI: InChI=1S/C24H30N2O2/c27-21-17-23(18-26(21)13-4-8-19-6-2-1-3-7-19)11-14-25(15-12-23)22(28)20-16-24(20)9-5-10-24/h1-4,6-8,20H,5,9-18H2/b8-4+
• InChIKey: CSPKYICRPYVUKI-XBXARRHUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2E)-3-phenylprop-2-en-1-yl]-8-{spiro[2.3]hexane-1-carbonyl}-2,8-diazaspiro[4.5]decan-3-one
• IUPAC Traditional name: 2-[(2E)-3-phenylprop-2-en-1-yl]-8-{spiro[2.3]hexane-1-carbonyl}-2,8-diazaspiro[4.5]decan-3-one
• Synonyms: 2-[(2E)-3-phenyl-2-propen-1-yl]-8-(spiro[2.3]hex-1-ylcarbonyl)-2,8-diazaspiro[4.5]decan-3-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.539131
• LogD (pH = 7.4): 2.5391324
• Log P: 2.5391324
• Molar Refractivity: 110.9733 cm^3
• Polarizability: 42.81208 Å^3
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.4
• LOG S: -4.86
• Polar Surface Area: 40.62 Å^2
• Rotatable Bonds: 4