N-{[2-(difluoromethoxy)phenyl]methyl}-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

• ChemBase ID: 329770
• Molecular Formular: C23H25F2N3O
• Molecular Mass: 397.4609064
• Monoisotopic Mass: 397.19656888
• SMILES: n1(c2c(cn1)C(NCc1c(OC(F)F)cccc1)CCC2)c1c(c(ccc1)C)C
• Canonical SMILES: FC(Oc1ccccc1CNC1CCCc2c1cnn2c1cccc(c1C)C)F
• InChI: InChI=1S/C23H25F2N3O/c1-15-7-5-10-20(16(15)2)28-21-11-6-9-19(18(21)14-27-28)26-13-17-8-3-4-12-22(17)29-23(24)25/h3-5,7-8,10,12,14,19,23,26H,6,9,11,13H2,1-2H3
• InChIKey: MOUYMAXEHYVANZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[2-(difluoromethoxy)phenyl]methyl}-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine
• IUPAC Traditional name: N-{[2-(difluoromethoxy)phenyl]methyl}-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-amine
• Synonyms: N-[2-(difluoromethoxy)benzyl]-1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.3212295
• LogD (pH = 7.4): 5.0522976
• Log P: 5.8907027
• Molar Refractivity: 111.0481 cm^3
• Polarizability: 42.335575 Å^3
• Polar Surface Area: 39.08 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.78
• LOG S: -5.77
• Polar Surface Area: 39.08 Å^2
• Rotatable Bonds: 6