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

• ChemBase ID: 559907
• Molecular Formular: C20H23N5O3
• Molecular Mass: 381.42832
• Monoisotopic Mass: 381.18008962
• SMILES: N1(C(=O)NCC1=O)CC(=O)NC1c2c(n(nc2)c2cc(cc(c2)C)C)CCC1
• Canonical SMILES: O=C(NC1CCCc2c1cnn2c1cc(C)cc(c1)C)CN1C(=O)CNC1=O
• InChI: InChI=1S/C20H23N5O3/c1-12-6-13(2)8-14(7-12)25-17-5-3-4-16(15(17)9-22-25)23-18(26)11-24-19(27)10-21-20(24)28/h6-9,16H,3-5,10-11H2,1-2H3,(H,21,28)(H,23,26)
• InChIKey: PTAXBJXGCHITMQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 11.877863
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.2581124
• LogD (pH = 7.4): 1.258178
• Log P: 1.2581934
• Molar Refractivity: 104.0163 cm^3
• Polarizability: 39.61867 Å^3
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 2
• Log P: 2.08
• LOG S: -3.76
• Polar Surface Area: 96.33 Å^2
• Rotatable Bonds: 4