5-benzyl-5-{1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl}imidazolidine-2,4-dione

• ChemBase ID: 314479
• Molecular Formular: C23H27N3O4
• Molecular Mass: 409.47818
• Monoisotopic Mass: 409.20015636
• SMILES: N1C(=O)C(NC1=O)(C1CCN(Cc2c(c(OC)ccc2)O)CC1)Cc1ccccc1
• Canonical SMILES: COc1cccc(c1O)CN1CCC(CC1)C1(NC(=O)NC1=O)Cc1ccccc1
• InChI: InChI=1S/C23H27N3O4/c1-30-19-9-5-8-17(20(19)27)15-26-12-10-18(11-13-26)23(21(28)24-22(29)25-23)14-16-6-3-2-4-7-16/h2-9,18,27H,10-15H2,1H3,(H2,24,25,28,29)
• InChIKey: NLJVNICDRPOHQF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-benzyl-5-{1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl}imidazolidine-2,4-dione
• IUPAC Traditional name: 5-benzyl-5-{1-[(2-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl}imidazolidine-2,4-dione
• Synonyms: 5-benzyl-5-[1-(2-hydroxy-3-methoxybenzyl)-4-piperidinyl]-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 8.55914
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): -0.56607103
• LogD (pH = 7.4): 1.0395052
• Log P: 1.986436
• Molar Refractivity: 113.4495 cm^3
• Polarizability: 43.949978 Å^3
• Polar Surface Area: 90.9 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 3
• Log P: 1.74
• LOG S: -3.08
• Polar Surface Area: 90.9 Å^2
• Rotatable Bonds: 5