5-ethyl-5-[1-(1-phenyl-1H-1,2,3-triazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione

• ChemBase ID: 472040
• Molecular Formular: C19H22N6O3
• Molecular Mass: 382.41638
• Monoisotopic Mass: 382.17533859
• SMILES: c1(n(nnc1)c1ccccc1)C(=O)N1CCC(C2(C(=O)NC(=O)N2)CC)CC1
• Canonical SMILES: CCC1(NC(=O)NC1=O)C1CCN(CC1)C(=O)c1cnnn1c1ccccc1
• InChI: InChI=1S/C19H22N6O3/c1-2-19(17(27)21-18(28)22-19)13-8-10-24(11-9-13)16(26)15-12-20-23-25(15)14-6-4-3-5-7-14/h3-7,12-13H,2,8-11H2,1H3,(H2,21,22,27,28)
• InChIKey: LZFCFVAIENEISO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-ethyl-5-[1-(1-phenyl-1H-1,2,3-triazole-5-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
• IUPAC Traditional name: 5-ethyl-5-[1-(3-phenyl-1,2,3-triazole-4-carbonyl)piperidin-4-yl]imidazolidine-2,4-dione
• Synonyms: 5-ethyl-5-{1-[(1-phenyl-1H-1,2,3-triazol-5-yl)carbonyl]piperidin-4-yl}imidazolidine-2,4-dione

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.146977
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 0.9104336
• LogD (pH = 7.4): 0.9096754
• Log P: 0.91044354
• Molar Refractivity: 101.8357 cm^3
• Polarizability: 38.79552 Å^3
• Polar Surface Area: 109.22 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.25
• LOG S: -3.51
• Polar Surface Area: 109.22 Å^2
• Rotatable Bonds: 4