2-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase ID: 369158
• Molecular Formular: C23H32N2O3
• Molecular Mass: 384.51178
• Monoisotopic Mass: 384.24129289
• SMILES: C1(=O)C2(CN(CC2)C/C=C/c2ccc(cc2)OC)CCCN1C1CCOCC1
• Canonical SMILES: COc1ccc(cc1)/C=C/CN1CCC2(C1)CCCN(C2=O)C1CCOCC1
• InChI: InChI=1S/C23H32N2O3/c1-27-21-7-5-19(6-8-21)4-2-13-24-15-12-23(18-24)11-3-14-25(22(23)26)20-9-16-28-17-10-20/h2,4-8,20H,3,9-18H2,1H3/b4-2+
• InChIKey: KOALYQBHSPTGIX-DUXPYHPUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC Traditional name: 2-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]-7-(oxan-4-yl)-2,7-diazaspiro[4.5]decan-6-one
• Synonyms: 2-[(2E)-3-(4-methoxyphenyl)prop-2-en-1-yl]-7-(tetrahydro-2H-pyran-4-yl)-2,7-diazaspiro[4.5]decan-6-one

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.9951741
• LogD (pH = 7.4): 0.5141671
• Log P: 2.279982
• Molar Refractivity: 112.4709 cm^3
• Polarizability: 43.382915 Å^3
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.68
• LOG S: -4.29
• Polar Surface Area: 42.01 Å^2
• Rotatable Bonds: 5