N-(3,3-diphenylpropyl)-4-[4-(2-methoxyacetamido)-1H-pyrazol-1-yl]benzamide

• ChemBase ID: 390766
• Molecular Formular: C28H28N4O3
• Molecular Mass: 468.54692
• Monoisotopic Mass: 468.21614078
• SMILES: n1(ncc(c1)NC(=O)COC)c1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1
• Canonical SMILES: COCC(=O)Nc1cnn(c1)c1ccc(cc1)C(=O)NCCC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C28H28N4O3/c1-35-20-27(33)31-24-18-30-32(19-24)25-14-12-23(13-15-25)28(34)29-17-16-26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,18-19,26H,16-17,20H2,1H3,(H,29,34)(H,31,33)
• InChIKey: CFXMDDCWIFEQSL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3,3-diphenylpropyl)-4-[4-(2-methoxyacetamido)-1H-pyrazol-1-yl]benzamide
• IUPAC Traditional name: N-(3,3-diphenylpropyl)-4-[4-(2-methoxyacetamido)pyrazol-1-yl]benzamide
• Synonyms: N-(3,3-diphenylpropyl)-4-{4-[(methoxyacetyl)amino]-1H-pyrazol-1-yl}benzamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.09093
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 4.075485
• LogD (pH = 7.4): 4.0754113
• Log P: 4.0754957
• Molar Refractivity: 138.3234 cm^3
• Polarizability: 52.36769 Å^3
• Polar Surface Area: 85.25 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 4.16
• LOG S: -7.45
• Polar Surface Area: 85.25 Å^2
• Rotatable Bonds: 9