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

• ChemBase ID: 395343
• Molecular Formular: C26H29N5O3S
• Molecular Mass: 491.60516
• Monoisotopic Mass: 491.19911081
• SMILES: N1(C(=O)NC(C1=O)(C1CCN(C(=O)c2nc3c(cc2)cccc3)CC1)CC)CCc1c(ncs1)C
• Canonical SMILES: CCC1(NC(=O)N(C1=O)CCc1scnc1C)C1CCN(CC1)C(=O)c1ccc2c(n1)cccc2
• InChI: InChI=1S/C26H29N5O3S/c1-3-26(24(33)31(25(34)29-26)15-12-22-17(2)27-16-35-22)19-10-13-30(14-11-19)23(32)21-9-8-18-6-4-5-7-20(18)28-21/h4-9,16,19H,3,10-15H2,1-2H3,(H,29,34)
• InChIKey: DLHMCOIHQHFZDR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.154701
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 2.9880846
• LogD (pH = 7.4): 2.9883378
• Log P: 2.9884174
• Molar Refractivity: 132.7475 cm^3
• Polarizability: 51.97805 Å^3
• Polar Surface Area: 95.5 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 2.0
• LOG S: -6.51
• Polar Surface Area: 95.5 Å^2
• Rotatable Bonds: 5