3-(2-methoxyphenyl)-1-methyl-3-{2-[3-(2-methylphenyl)piperidin-1-yl]-2-oxoethyl}pyrrolidine-2,5-dione

• ChemBase ID: 644358
• Molecular Formular: C26H30N2O4
• Molecular Mass: 434.5274
• Monoisotopic Mass: 434.22055745
• SMILES: C1(C(=O)N(C(=O)C1)C)(CC(=O)N1CC(c2c(C)cccc2)CCC1)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1C1(CC(=O)N2CCCC(C2)c2ccccc2C)CC(=O)N(C1=O)C
• InChI: InChI=1S/C26H30N2O4/c1-18-9-4-5-11-20(18)19-10-8-14-28(17-19)24(30)16-26(15-23(29)27(2)25(26)31)21-12-6-7-13-22(21)32-3/h4-7,9,11-13,19H,8,10,14-17H2,1-3H3
• InChIKey: QFONGCZUIQFAPF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-methoxyphenyl)-1-methyl-3-{2-[3-(2-methylphenyl)piperidin-1-yl]-2-oxoethyl}pyrrolidine-2,5-dione
• IUPAC Traditional name: 3-(2-methoxyphenyl)-1-methyl-3-{2-[3-(2-methylphenyl)piperidin-1-yl]-2-oxoethyl}pyrrolidine-2,5-dione
• Synonyms: 3-(2-methoxyphenyl)-1-methyl-3-{2-[3-(2-methylphenyl)-1-piperidinyl]-2-oxoethyl}-2,5-pyrrolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.552507
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.9326384
• LogD (pH = 7.4): 2.9326386
• Log P: 2.9326386
• Molar Refractivity: 122.4436 cm^3
• Polarizability: 47.332718 Å^3
• Polar Surface Area: 66.92 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: 3.3
• LOG S: -5.62
• Polar Surface Area: 66.92 Å^2
• Rotatable Bonds: 4