5-{1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl}-5-(3-phenylpropyl)imidazolidine-2,4-dione

• ChemBase ID: 335691
• Molecular Formular: C27H30N4O2S
• Molecular Mass: 474.6177
• Monoisotopic Mass: 474.20894722
• SMILES: N1C(=O)C(NC1=O)(C1CCN(Cc2nc(cs2)c2ccccc2)CC1)CCCc1ccccc1
• Canonical SMILES: O=C1NC(=O)C(N1)(CCCc1ccccc1)C1CCN(CC1)Cc1scc(n1)c1ccccc1
• InChI: InChI=1S/C27H30N4O2S/c32-25-27(30-26(33)29-25,15-7-10-20-8-3-1-4-9-20)22-13-16-31(17-14-22)18-24-28-23(19-34-24)21-11-5-2-6-12-21/h1-6,8-9,11-12,19,22H,7,10,13-18H2,(H2,29,30,32,33)
• InChIKey: JSVVQBSSVYEAKY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-{1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl}-5-(3-phenylpropyl)imidazolidine-2,4-dione
• IUPAC Traditional name: 5-{1-[(4-phenyl-1,3-thiazol-2-yl)methyl]piperidin-4-yl}-5-(3-phenylpropyl)imidazolidine-2,4-dione
• Synonyms: 5-(3-phenylpropyl)-5-{1-[(4-phenyl-1,3-thiazol-2-yl)methyl]-4-piperidinyl}-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.184035
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.6131146
• LogD (pH = 7.4): 4.292781
• Log P: 4.7168803
• Molar Refractivity: 133.507 cm^3
• Polarizability: 53.157154 Å^3
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 4.11
• LOG S: -5.91
• Polar Surface Area: 74.33 Å^2
• Rotatable Bonds: 8