{[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]sulfamoyl}dimethylamine

• ChemBase ID: 570456
• Molecular Formular: C19H28N4O2S
• Molecular Mass: 376.51622
• Monoisotopic Mass: 376.19329716
• SMILES: S(=O)(=O)(NC1c2c(n(nc2)c2ccc(C(C)(C)C)cc2)CCC1)N(C)C
• Canonical SMILES: CN(S(=O)(=O)NC1CCCc2c1cnn2c1ccc(cc1)C(C)(C)C)C
• InChI: InChI=1S/C19H28N4O2S/c1-19(2,3)14-9-11-15(12-10-14)23-18-8-6-7-17(16(18)13-20-23)21-26(24,25)22(4)5/h9-13,17,21H,6-8H2,1-5H3
• InChIKey: IQPQNTKNIQWQNU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]sulfamoyl}dimethylamine
• IUPAC Traditional name: {[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]sulfamoyl}dimethylamine
• Synonyms: N'-[1-(4-tert-butylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-N,N-dimethylsulfamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.690581
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.7878752
• LogD (pH = 7.4): 2.7877607
• Log P: 2.7879589
• Molar Refractivity: 105.3852 cm^3
• Polarizability: 41.761227 Å^3
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.21
• LOG S: -4.69
• Polar Surface Area: 67.23 Å^2
• Rotatable Bonds: 3