4-(dimethylamino)-N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]benzamide

• ChemBase ID: 658563
• Molecular Formular: C24H28N4O
• Molecular Mass: 388.50532
• Monoisotopic Mass: 388.22631154
• SMILES: n1(c2c(cn1)C(NC(=O)c1ccc(N(C)C)cc1)CCC2)c1cc(cc(c1)C)C
• Canonical SMILES: Cc1cc(C)cc(c1)n1ncc2c1CCCC2NC(=O)c1ccc(cc1)N(C)C
• InChI: InChI=1S/C24H28N4O/c1-16-12-17(2)14-20(13-16)28-23-7-5-6-22(21(23)15-25-28)26-24(29)18-8-10-19(11-9-18)27(3)4/h8-15,22H,5-7H2,1-4H3,(H,26,29)
• InChIKey: FXNXDWCBKJBION-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.672456
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.741407
• LogD (pH = 7.4): 4.7455735
• Log P: 4.745627
• Molar Refractivity: 119.7317 cm^3
• Polarizability: 44.751225 Å^3
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.98
• LOG S: -7.58
• Polar Surface Area: 50.16 Å^2
• Rotatable Bonds: 3