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

• ChemBase ID: 444654
• Molecular Formular: C25H32N4O4S
• Molecular Mass: 484.61098
• Monoisotopic Mass: 484.21442652
• SMILES: N1(C(=O)NC(C1=O)(C1CCN(C(=O)C(Oc2ccccc2)C)CC1)CC)CCc1c(ncs1)C
• Canonical SMILES: CCC1(NC(=O)N(C1=O)CCc1scnc1C)C1CCN(CC1)C(=O)C(Oc1ccccc1)C
• InChI: InChI=1S/C25H32N4O4S/c1-4-25(23(31)29(24(32)27-25)15-12-21-17(2)26-16-34-21)19-10-13-28(14-11-19)22(30)18(3)33-20-8-6-5-7-9-20/h5-9,16,18-19H,4,10-15H2,1-3H3,(H,27,32)
• InChIKey: AEZWVSJIDNAHHM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.137542
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.6760771
• LogD (pH = 7.4): 2.6763232
• Log P: 2.676406
• Molar Refractivity: 128.9837 cm^3
• Polarizability: 49.97528 Å^3
• Polar Surface Area: 91.84 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: 2.39
• LOG S: -5.18
• Polar Surface Area: 91.84 Å^2
• Rotatable Bonds: 7