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

• ChemBase ID: 782273
• Molecular Formular: C16H19N5O3
• Molecular Mass: 329.35376
• Monoisotopic Mass: 329.14878949
• SMILES: N1C(=O)NC(C1=O)CCC(=O)NCCCn1ncc2c1cccc2
• Canonical SMILES: O=C(CCC1NC(=O)NC1=O)NCCCn1ncc2c1cccc2
• InChI: InChI=1S/C16H19N5O3/c22-14(7-6-12-15(23)20-16(24)19-12)17-8-3-9-21-13-5-2-1-4-11(13)10-18-21/h1-2,4-5,10,12H,3,6-9H2,(H,17,22)(H2,19,20,23,24)
• InChIKey: VUZHCJXCWVMZGV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.637591
• H Acceptors: 4
• H Donor: 3
• LogD (pH = 5.5): -0.50949985
• LogD (pH = 7.4): -0.5119322
• Log P: -0.5094549
• Molar Refractivity: 97.2348 cm^3
• Polarizability: 34.13077 Å^3
• Polar Surface Area: 105.12 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 3
• Log P: -0.27
• LOG S: -2.68
• Polar Surface Area: 105.12 Å^2
• Rotatable Bonds: 7