(2S)-1-[4-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)-1H-imidazol-1-yl]propan-2-ol

• ChemBase ID: 484643
• Molecular Formular: C21H19N3OS
• Molecular Mass: 361.46006
• Monoisotopic Mass: 361.12488324
• SMILES: c1(c2nc(cs2)c2ccccc2)n(cnc1c1ccccc1)C[C@@H](O)C
• Canonical SMILES: C[C@@H](Cn1cnc(c1c1scc(n1)c1ccccc1)c1ccccc1)O
• InChI: InChI=1S/C21H19N3OS/c1-15(25)12-24-14-22-19(17-10-6-3-7-11-17)20(24)21-23-18(13-26-21)16-8-4-2-5-9-16/h2-11,13-15,25H,12H2,1H3/t15-/m0/s1
• InChIKey: NFAGEDGXZUTJAZ-HNNXBMFYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-1-[4-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)-1H-imidazol-1-yl]propan-2-ol
• IUPAC Traditional name: (2S)-1-[4-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)imidazol-1-yl]propan-2-ol
• Synonyms: (2S)-1-[4-phenyl-5-(4-phenyl-1,3-thiazol-2-yl)-1H-imidazol-1-yl]propan-2-ol

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.17529
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.445488
• LogD (pH = 7.4): 4.4742584
• Log P: 4.4746404
• Molar Refractivity: 114.3365 cm^3
• Polarizability: 43.252422 Å^3
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.78
• LOG S: -5.06
• Polar Surface Area: 50.94 Å^2
• Rotatable Bonds: 5