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

• ChemBase ID: 337343
• Molecular Formular: C27H38FN3O3
• Molecular Mass: 471.6073232
• Monoisotopic Mass: 471.28972031
• SMILES: N1(C(=O)NC(C1=O)(Cc1cc(F)ccc1)C1CCN(C(=O)C2(C)CCCCC2)CC1)CC(C)C
• Canonical SMILES: CC(CN1C(=O)NC(C1=O)(Cc1cccc(c1)F)C1CCN(CC1)C(=O)C1(C)CCCCC1)C
• InChI: InChI=1S/C27H38FN3O3/c1-19(2)18-31-24(33)27(29-25(31)34,17-20-8-7-9-22(28)16-20)21-10-14-30(15-11-21)23(32)26(3)12-5-4-6-13-26/h7-9,16,19,21H,4-6,10-15,17-18H2,1-3H3,(H,29,34)
• InChIKey: ZTGWTEZBDWIXFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.0691
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.8453207
• LogD (pH = 7.4): 4.845235
• Log P: 4.845327
• Molar Refractivity: 129.2245 cm^3
• Polarizability: 50.116035 Å^3
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.2
• LOG S: -5.24
• Polar Surface Area: 69.72 Å^2
• Rotatable Bonds: 5