5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-{1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl}imidazolidine-2,4-dione

• ChemBase ID: 323913
• Molecular Formular: C27H36FN3O4
• Molecular Mass: 485.5908432
• Monoisotopic Mass: 485.26898487
• SMILES: N1(C(=O)NC(C1=O)(Cc1cc(F)ccc1)C1CCN(CCC(c2oc(cc2)C)C)CC1)CCOC
• Canonical SMILES: COCCN1C(=O)NC(C1=O)(Cc1cccc(c1)F)C1CCN(CC1)CCC(c1ccc(o1)C)C
• InChI: InChI=1S/C27H36FN3O4/c1-19(24-8-7-20(2)35-24)9-12-30-13-10-22(11-14-30)27(18-21-5-4-6-23(28)17-21)25(32)31(15-16-34-3)26(33)29-27/h4-8,17,19,22H,9-16,18H2,1-3H3,(H,29,33)
• InChIKey: OLCVOCFBPHWZFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-{1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl}imidazolidine-2,4-dione
• IUPAC Traditional name: 5-[(3-fluorophenyl)methyl]-3-(2-methoxyethyl)-5-{1-[3-(5-methylfuran-2-yl)butyl]piperidin-4-yl}imidazolidine-2,4-dione
• Synonyms: 5-(3-fluorobenzyl)-3-(2-methoxyethyl)-5-{1-[3-(5-methyl-2-furyl)butyl]-4-piperidinyl}-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.8213625
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 0.37433565
• LogD (pH = 7.4): 1.9589906
• Log P: 3.47653
• Molar Refractivity: 132.6842 cm^3
• Polarizability: 50.80771 Å^3
• Polar Surface Area: 75.02 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.09
• LOG S: -5.74
• Polar Surface Area: 75.02 Å^2
• Rotatable Bonds: 9