5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-(4-oxopentanoyl)piperidin-4-yl]imidazolidine-2,4-dione

• ChemBase ID: 335961
• Molecular Formular: C24H32FN3O4
• Molecular Mass: 445.5269832
• Monoisotopic Mass: 445.23768474
• SMILES: N1(C(=O)NC(C1=O)(Cc1cc(F)ccc1)C1CCN(C(=O)CCC(=O)C)CC1)CC(C)C
• Canonical SMILES: CC(CN1C(=O)NC(C1=O)(Cc1cccc(c1)F)C1CCN(CC1)C(=O)CCC(=O)C)C
• InChI: InChI=1S/C24H32FN3O4/c1-16(2)15-28-22(31)24(26-23(28)32,14-18-5-4-6-20(25)13-18)19-9-11-27(12-10-19)21(30)8-7-17(3)29/h4-6,13,16,19H,7-12,14-15H2,1-3H3,(H,26,32)
• InChIKey: PUAMNEBMNVGVNQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-(4-oxopentanoyl)piperidin-4-yl]imidazolidine-2,4-dione
• IUPAC Traditional name: 5-[(3-fluorophenyl)methyl]-3-(2-methylpropyl)-5-[1-(4-oxopentanoyl)piperidin-4-yl]imidazolidine-2,4-dione
• Synonyms: 5-(3-fluorobenzyl)-3-isobutyl-5-[1-(4-oxopentanoyl)-4-piperidinyl]-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.856159
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.3302968
• LogD (pH = 7.4): 2.3301485
• Log P: 2.3302987
• Molar Refractivity: 117.9657 cm^3
• Polarizability: 45.43923 Å^3
• Polar Surface Area: 86.79 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.16
• LOG S: -4.22
• Polar Surface Area: 86.79 Å^2
• Rotatable Bonds: 7