5-[(2-chlorophenyl)methyl]-5-{1-[4-(morpholin-4-yl)benzoyl]piperidin-4-yl}imidazolidine-2,4-dione

• ChemBase ID: 392027
• Molecular Formular: C26H29ClN4O4
• Molecular Mass: 496.98586
• Monoisotopic Mass: 496.18773311
• SMILES: C1(C(=O)NC(=O)N1)(Cc1c(Cl)cccc1)C1CCN(C(=O)c2ccc(N3CCOCC3)cc2)CC1
• Canonical SMILES: O=C1NC(=O)C(N1)(Cc1ccccc1Cl)C1CCN(CC1)C(=O)c1ccc(cc1)N1CCOCC1
• InChI: InChI=1S/C26H29ClN4O4/c27-22-4-2-1-3-19(22)17-26(24(33)28-25(34)29-26)20-9-11-31(12-10-20)23(32)18-5-7-21(8-6-18)30-13-15-35-16-14-30/h1-8,20H,9-17H2,(H2,28,29,33,34)
• InChIKey: ZGXJMNHEWDFOGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[(2-chlorophenyl)methyl]-5-{1-[4-(morpholin-4-yl)benzoyl]piperidin-4-yl}imidazolidine-2,4-dione
• IUPAC Traditional name: 5-[(2-chlorophenyl)methyl]-5-{1-[4-(morpholin-4-yl)benzoyl]piperidin-4-yl}imidazolidine-2,4-dione
• Synonyms: 5-(2-chlorobenzyl)-5-{1-[4-(4-morpholinyl)benzoyl]-4-piperidinyl}-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.882891
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.9128726
• LogD (pH = 7.4): 2.9114819
• Log P: 2.9128919
• Molar Refractivity: 133.6424 cm^3
• Polarizability: 50.675903 Å^3
• Polar Surface Area: 90.98 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.08
• LOG S: -5.38
• Polar Surface Area: 90.98 Å^2
• Rotatable Bonds: 5