3-[(4-fluorophenyl)methyl]-5-{1-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidin-4-yl}-5-methylimidazolidine-2,4-dione

• ChemBase ID: 496992
• Molecular Formular: C26H32FN3O4
• Molecular Mass: 469.5483832
• Monoisotopic Mass: 469.23768474
• SMILES: N1(C(=O)NC(C1=O)(C1CCN(C(Cc2cc(c(cc2)O)OC)C)CC1)C)Cc1ccc(F)cc1
• Canonical SMILES: COc1cc(ccc1O)CC(N1CCC(CC1)C1(C)NC(=O)N(C1=O)Cc1ccc(cc1)F)C
• InChI: InChI=1S/C26H32FN3O4/c1-17(14-19-6-9-22(31)23(15-19)34-3)29-12-10-20(11-13-29)26(2)24(32)30(25(33)28-26)16-18-4-7-21(27)8-5-18/h4-9,15,17,20,31H,10-14,16H2,1-3H3,(H,28,33)
• InChIKey: AMIKSVWVBCTJGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-[(4-fluorophenyl)methyl]-5-{1-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidin-4-yl}-5-methylimidazolidine-2,4-dione
• IUPAC Traditional name: 3-[(4-fluorophenyl)methyl]-5-{1-[1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]piperidin-4-yl}-5-methylimidazolidine-2,4-dione
• Synonyms: 3-(4-fluorobenzyl)-5-{1-[2-(4-hydroxy-3-methoxyphenyl)-1-methylethyl]-4-piperidinyl}-5-methyl-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.189361
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.58533823
• LogD (pH = 7.4): 2.2151089
• Log P: 3.4555414
• Molar Refractivity: 127.73 cm^3
• Polarizability: 49.073574 Å^3
• Polar Surface Area: 82.11 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 3.53
• LOG S: -5.0
• Polar Surface Area: 82.11 Å^2
• Rotatable Bonds: 6