N-[(3,4-difluorophenyl)methyl]-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

• ChemBase ID: 636160
• Molecular Formular: C22H23F2N3
• Molecular Mass: 367.4349264
• Monoisotopic Mass: 367.18600419
• SMILES: n1(c2c(cn1)C(NCc1cc(c(cc1)F)F)CCC2)c1cc(cc(c1)C)C
• Canonical SMILES: Cc1cc(C)cc(c1)n1ncc2c1CCCC2NCc1ccc(c(c1)F)F
• InChI: InChI=1S/C22H23F2N3/c1-14-8-15(2)10-17(9-14)27-22-5-3-4-21(18(22)13-26-27)25-12-16-6-7-19(23)20(24)11-16/h6-11,13,21,25H,3-5,12H2,1-2H3
• InChIKey: JSQWADIYAHYYOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3,4-difluorophenyl)methyl]-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
• IUPAC Traditional name: N-[(3,4-difluorophenyl)methyl]-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine
• Synonyms: N-(3,4-difluorobenzyl)-1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.704653
• LogD (pH = 7.4): 4.413599
• Log P: 5.4070196
• Molar Refractivity: 105.0088 cm^3
• Polarizability: 39.7417 Å^3
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 4.68
• LOG S: -6.2
• Polar Surface Area: 29.85 Å^2
• Rotatable Bonds: 4