1-(2-fluorophenyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1H-indazol-4-amine

• ChemBase ID: 395696
• Molecular Formular: C23H21FN4S
• Molecular Mass: 404.5030432
• Monoisotopic Mass: 404.14709591
• SMILES: n1(c2c(cn1)C(NCc1sc(nc1)c1ccccc1)CCC2)c1c(F)cccc1
• Canonical SMILES: Fc1ccccc1n1ncc2c1CCCC2NCc1cnc(s1)c1ccccc1
• InChI: InChI=1S/C23H21FN4S/c24-19-9-4-5-11-22(19)28-21-12-6-10-20(18(21)15-27-28)25-13-17-14-26-23(29-17)16-7-2-1-3-8-16/h1-5,7-9,11,14-15,20,25H,6,10,12-13H2
• InChIKey: JOLXZLRFZARRDP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-fluorophenyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1H-indazol-4-amine
• IUPAC Traditional name: 1-(2-fluorophenyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazol-4-amine
• Synonyms: 1-(2-fluorophenyl)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-4,5,6,7-tetrahydro-1H-indazol-4-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.5803018
• LogD (pH = 7.4): 4.314627
• Log P: 5.0534773
• Molar Refractivity: 124.8041 cm^3
• Polarizability: 44.629536 Å^3
• Polar Surface Area: 42.74 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: false

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 4.48
• LOG S: -6.21
• Polar Surface Area: 42.74 Å^2
• Rotatable Bonds: 5