1-methyl-3-{2-[4-(morpholin-4-yl)piperidin-1-yl]-2-oxoethyl}-3-(4-phenylphenyl)pyrrolidine-2,5-dione

• ChemBase ID: 371726
• Molecular Formular: C28H33N3O4
• Molecular Mass: 475.57932
• Monoisotopic Mass: 475.24710655
• SMILES: C1(C(=O)N(C(=O)C1)C)(CC(=O)N1CCC(N2CCOCC2)CC1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: CN1C(=O)CC(C1=O)(CC(=O)N1CCC(CC1)N1CCOCC1)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C28H33N3O4/c1-29-25(32)19-28(27(29)34,23-9-7-22(8-10-23)21-5-3-2-4-6-21)20-26(33)31-13-11-24(12-14-31)30-15-17-35-18-16-30/h2-10,24H,11-20H2,1H3
• InChIKey: DOGPZFHJBSHIGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methyl-3-{2-[4-(morpholin-4-yl)piperidin-1-yl]-2-oxoethyl}-3-(4-phenylphenyl)pyrrolidine-2,5-dione
• IUPAC Traditional name: 1-methyl-3-{2-[4-(morpholin-4-yl)piperidin-1-yl]-2-oxoethyl}-3-(4-phenylphenyl)pyrrolidine-2,5-dione
• Synonyms: 3-(4-biphenylyl)-1-methyl-3-{2-[4-(4-morpholinyl)-1-piperidinyl]-2-oxoethyl}-2,5-pyrrolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 18.637491
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.23168108
• LogD (pH = 7.4): 1.3717396
• Log P: 1.6832765
• Molar Refractivity: 133.8924 cm^3
• Polarizability: 53.255505 Å^3
• Polar Surface Area: 70.16 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: 2.02
• LOG S: -3.93
• Polar Surface Area: 70.16 Å^2
• Rotatable Bonds: 5