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

• ChemBase ID: 586202
• Molecular Formular: C27H24F2N4O3
• Molecular Mass: 490.5012664
• Monoisotopic Mass: 490.18164709
• SMILES: N1(C(=O)C(NC1=O)(c1cnccc1)C1CCN(C(=O)c2ccc(cc2)F)CC1)Cc1ccc(F)cc1
• Canonical SMILES: Fc1ccc(cc1)CN1C(=O)NC(C1=O)(C1CCN(CC1)C(=O)c1ccc(cc1)F)c1cccnc1
• InChI: InChI=1S/C27H24F2N4O3/c28-22-7-3-18(4-8-22)17-33-25(35)27(31-26(33)36,21-2-1-13-30-16-21)20-11-14-32(15-12-20)24(34)19-5-9-23(29)10-6-19/h1-10,13,16,20H,11-12,14-15,17H2,(H,31,36)
• InChIKey: KINTZMBEYUZVAP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.009775
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.0892467
• LogD (pH = 7.4): 3.1446857
• Log P: 3.1465232
• Molar Refractivity: 128.3647 cm^3
• Polarizability: 48.37448 Å^3
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.22
• LOG S: -6.91
• Polar Surface Area: 82.61 Å^2
• Rotatable Bonds: 5