N-[1-benzyl-4-(morpholin-4-yl)-1H-indazol-3-yl]-2-methoxybutanamide

• ChemBase ID: 342923
• Molecular Formular: C23H28N4O3
• Molecular Mass: 408.49342
• Monoisotopic Mass: 408.21614078
• SMILES: c1(c2c(n(n1)Cc1ccccc1)cccc2N1CCOCC1)NC(=O)C(OC)CC
• Canonical SMILES: CCC(C(=O)Nc1nn(c2c1c(ccc2)N1CCOCC1)Cc1ccccc1)OC
• InChI: InChI=1S/C23H28N4O3/c1-3-20(29-2)23(28)24-22-21-18(26-12-14-30-15-13-26)10-7-11-19(21)27(25-22)16-17-8-5-4-6-9-17/h4-11,20H,3,12-16H2,1-2H3,(H,24,25,28)
• InChIKey: IQGQMVVUMNXHIM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-benzyl-4-(morpholin-4-yl)-1H-indazol-3-yl]-2-methoxybutanamide
• IUPAC Traditional name: N-[1-benzyl-4-(morpholin-4-yl)indazol-3-yl]-2-methoxybutanamide
• Synonyms: N-(1-benzyl-4-morpholin-4-yl-1H-indazol-3-yl)-2-methoxybutanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.955645
• H Acceptors: 5
• H Donor: 1
• LogD (pH = 5.5): 3.7833219
• LogD (pH = 7.4): 3.7832184
• Log P: 3.7833333
• Molar Refractivity: 130.0526 cm^3
• Polarizability: 45.55762 Å^3
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.03
• LOG S: -4.77
• Polar Surface Area: 68.62 Å^2
• Rotatable Bonds: 7