N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(4-methoxyphenyl)acetamide

• ChemBase ID: 650308
• Molecular Formular: C24H27N3O2
• Molecular Mass: 389.49008
• Monoisotopic Mass: 389.21032712
• SMILES: n1(c2c(cn1)C(NC(=O)Cc1ccc(cc1)OC)CCC2)c1cc(cc(c1)C)C
• Canonical SMILES: COc1ccc(cc1)CC(=O)NC1CCCc2c1cnn2c1cc(C)cc(c1)C
• InChI: InChI=1S/C24H27N3O2/c1-16-11-17(2)13-19(12-16)27-23-6-4-5-22(21(23)15-25-27)26-24(28)14-18-7-9-20(29-3)10-8-18/h7-13,15,22H,4-6,14H2,1-3H3,(H,26,28)
• InChIKey: ZTZIMUOTOLANJF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(4-methoxyphenyl)acetamide
• IUPAC Traditional name: N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-(4-methoxyphenyl)acetamide
• Synonyms: N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2-(4-methoxyphenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.352755
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.4599967
• LogD (pH = 7.4): 4.4600763
• Log P: 4.4600773
• Molar Refractivity: 115.8177 cm^3
• Polarizability: 44.50005 Å^3
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.43
• LOG S: -6.6
• Polar Surface Area: 56.15 Å^2
• Rotatable Bonds: 4