2-(2,5-dioxoimidazolidin-4-yl)-N-[3-(1H-indazol-1-yl)propyl]acetamide

• ChemBase ID: 594210
• Molecular Formular: C15H17N5O3
• Molecular Mass: 315.32718
• Monoisotopic Mass: 315.13313943
• SMILES: N1C(=O)NC(C1=O)CC(=O)NCCCn1ncc2c1cccc2
• Canonical SMILES: O=C(CC1NC(=O)NC1=O)NCCCn1ncc2c1cccc2
• InChI: InChI=1S/C15H17N5O3/c21-13(8-11-14(22)19-15(23)18-11)16-6-3-7-20-12-5-2-1-4-10(12)9-17-20/h1-2,4-5,9,11H,3,6-8H2,(H,16,21)(H2,18,19,22,23)
• InChIKey: RQLJQXAJWRVURU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2,5-dioxoimidazolidin-4-yl)-N-[3-(1H-indazol-1-yl)propyl]acetamide
• IUPAC Traditional name: 2-(2,5-dioxoimidazolidin-4-yl)-N-[3-(indazol-1-yl)propyl]acetamide
• Synonyms: 2-(2,5-dioxoimidazolidin-4-yl)-N-[3-(1H-indazol-1-yl)propyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.62861
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.7981617
• LogD (pH = 7.4): -0.800645
• Log P: -0.79811615
• Molar Refractivity: 92.4798 cm^3
• Polarizability: 32.29559 Å^3
• Polar Surface Area: 105.12 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.44
• LOG S: -2.43
• Polar Surface Area: 105.12 Å^2
• Rotatable Bonds: 6