5-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione

• ChemBase ID: 386533
• Molecular Formular: C23H30N4O3S
• Molecular Mass: 442.5743
• Monoisotopic Mass: 442.20386184
• SMILES: N1(C(=O)NC(C1=O)(C1CCN(Cc2nccs2)CC1)CC)CCc1ccc(cc1)OC
• Canonical SMILES: CCC1(NC(=O)N(C1=O)CCc1ccc(cc1)OC)C1CCN(CC1)Cc1nccs1
• InChI: InChI=1S/C23H30N4O3S/c1-3-23(18-9-12-26(13-10-18)16-20-24-11-15-31-20)21(28)27(22(29)25-23)14-8-17-4-6-19(30-2)7-5-17/h4-7,11,15,18H,3,8-10,12-14,16H2,1-2H3,(H,25,29)
• InChIKey: WJXRCRDDULWZAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
• IUPAC Traditional name: 5-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-[1-(1,3-thiazol-2-ylmethyl)piperidin-4-yl]imidazolidine-2,4-dione
• Synonyms: 5-ethyl-3-[2-(4-methoxyphenyl)ethyl]-5-[1-(1,3-thiazol-2-ylmethyl)-4-piperidinyl]-2,4-imidazolidinedione

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.118213
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 1.1204941
• LogD (pH = 7.4): 2.5585713
• Log P: 2.7400024
• Molar Refractivity: 120.1733 cm^3
• Polarizability: 46.661892 Å^3
• Polar Surface Area: 74.77 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: 2.56
• LOG S: -4.33
• Polar Surface Area: 74.77 Å^2
• Rotatable Bonds: 6