5-ethyl-5-{1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl}-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione

• ChemBase ID: 461406
• Molecular Formular: C25H30N4O5
• Molecular Mass: 466.5295
• Monoisotopic Mass: 466.22162008
• SMILES: N1(C(=O)NC(C1=O)(C1CCN(C(=O)COc2c(OC)cccc2)CC1)CC)Cc1ncccc1
• Canonical SMILES: COc1ccccc1OCC(=O)N1CCC(CC1)C1(CC)NC(=O)N(C1=O)Cc1ccccn1
• InChI: InChI=1S/C25H30N4O5/c1-3-25(23(31)29(24(32)27-25)16-19-8-6-7-13-26-19)18-11-14-28(15-12-18)22(30)17-34-21-10-5-4-9-20(21)33-2/h4-10,13,18H,3,11-12,14-17H2,1-2H3,(H,27,32)
• InChIKey: HCUPTTSUQPEKKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-5-{1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl}-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-ethyl-5-{1-[2-(2-methoxyphenoxy)acetyl]piperidin-4-yl}-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
• Synonyms: 5-ethyl-5-{1-[(2-methoxyphenoxy)acetyl]-4-piperidinyl}-3-(2-pyridinylmethyl)-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.012253
• H Acceptors: 6
• H Donor: 1
• LogD (pH = 5.5): 1.5854205
• LogD (pH = 7.4): 1.6021818
• Log P: 1.6025063
• Molar Refractivity: 123.8245 cm^3
• Polarizability: 48.367264 Å^3
• Polar Surface Area: 101.07 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 1
• Log P: 1.35
• LOG S: -4.1
• Polar Surface Area: 101.07 Å^2
• Rotatable Bonds: 6