N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide

• ChemBase ID: 421659
• Molecular Formular: C16H17ClN4O3
• Molecular Mass: 348.78418
• Monoisotopic Mass: 348.0989181
• SMILES: N1C(=O)NC(C1=O)CC(=O)NCCc1c([nH]c2c1cc(cc2)Cl)C
• Canonical SMILES: Cc1c(CCNC(=O)CC2NC(=O)NC2=O)c2c([nH]1)ccc(c2)Cl
• InChI: InChI=1S/C16H17ClN4O3/c1-8-10(11-6-9(17)2-3-12(11)19-8)4-5-18-14(22)7-13-15(23)21-16(24)20-13/h2-3,6,13,19H,4-5,7H2,1H3,(H,18,22)(H2,20,21,23,24)
• InChIKey: BJSXXJKGHMOYKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide
• IUPAC Traditional name: N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide
• Synonyms: N-[2-(5-chloro-2-methyl-1H-indol-3-yl)ethyl]-2-(2,5-dioxoimidazolidin-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.631029
• H Acceptors: 3
• H Donor: 4
• LogD (pH = 5.5): 0.8089359
• LogD (pH = 7.4): 0.80645293
• Log P: 0.80896765
• Molar Refractivity: 88.7029 cm^3
• Polarizability: 34.98664 Å^3
• Polar Surface Area: 103.09 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 4
• Log P: 0.76
• LOG S: -2.39
• Polar Surface Area: 103.09 Å^2
• Rotatable Bonds: 5