N-(1,3-dihydro-2-benzofuran-5-yl)-1H-indazole-3-carboxamide

• ChemBase ID: 855764
• Molecular Formular: C16H13N3O2
• Molecular Mass: 279.29332
• Monoisotopic Mass: 279.10077667
• SMILES: c1(n[nH]c2c1cccc2)C(=O)Nc1cc2c(cc1)COC2
• Canonical SMILES: O=C(c1n[nH]c2c1cccc2)Nc1ccc2c(c1)COC2
• InChI: InChI=1S/C16H13N3O2/c20-16(15-13-3-1-2-4-14(13)18-19-15)17-12-6-5-10-8-21-9-11(10)7-12/h1-7H,8-9H2,(H,17,20)(H,18,19)
• InChIKey: PFGJMQYACUIQHA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(1,3-dihydro-2-benzofuran-5-yl)-1H-indazole-3-carboxamide
• IUPAC Traditional name: N-(1,3-dihydro-2-benzofuran-5-yl)-1H-indazole-3-carboxamide
• Synonyms: N-(1,3-dihydro-2-benzofuran-5-yl)-1H-indazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 9.831185
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 2.401027
• LogD (pH = 7.4): 2.39948
• Log P: 2.4010468
• Molar Refractivity: 81.3563 cm^3
• Polarizability: 30.898766 Å^3
• Polar Surface Area: 67.01 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 2
• Log P: 2.48
• LOG S: -3.36
• Polar Surface Area: 67.01 Å^2
• Rotatable Bonds: 2