3-(furan-2-ylmethyl)-5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione

• ChemBase ID: 369133
• Molecular Formular: C25H31N3O5
• Molecular Mass: 453.53074
• Monoisotopic Mass: 453.22637111
• SMILES: N1(C(=O)NC(C1=O)(C1CCN(C(=O)C(Oc2ccccc2)C)CC1)CCC)Cc1occc1
• Canonical SMILES: CCCC1(NC(=O)N(C1=O)Cc1ccco1)C1CCN(CC1)C(=O)C(Oc1ccccc1)C
• InChI: InChI=1S/C25H31N3O5/c1-3-13-25(23(30)28(24(31)26-25)17-21-10-7-16-32-21)19-11-14-27(15-12-19)22(29)18(2)33-20-8-5-4-6-9-20/h4-10,16,18-19H,3,11-15,17H2,1-2H3,(H,26,31)
• InChIKey: SJCOKVPLKGWLBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(furan-2-ylmethyl)-5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
• IUPAC Traditional name: 3-(furan-2-ylmethyl)-5-[1-(2-phenoxypropanoyl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
• Synonyms: 3-(2-furylmethyl)-5-[1-(2-phenoxypropanoyl)-4-piperidinyl]-5-propyl-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.011356
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.9699564
• LogD (pH = 7.4): 2.9698527
• Log P: 2.9699576
• Molar Refractivity: 121.5262 cm^3
• Polarizability: 47.290016 Å^3
• Polar Surface Area: 92.09 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 3.12
• LOG S: -4.57
• Polar Surface Area: 92.09 Å^2
• Rotatable Bonds: 6