1-(2-benzyl-1,3-thiazole-4-carbonyl)-3-phenylpiperidine

• ChemBase ID: 532071
• Molecular Formular: C22H22N2OS
• Molecular Mass: 362.48788
• Monoisotopic Mass: 362.14528433
• SMILES: c1(nc(sc1)Cc1ccccc1)C(=O)N1CC(c2ccccc2)CCC1
• Canonical SMILES: O=C(N1CCCC(C1)c1ccccc1)c1csc(n1)Cc1ccccc1
• InChI: InChI=1S/C22H22N2OS/c25-22(20-16-26-21(23-20)14-17-8-3-1-4-9-17)24-13-7-12-19(15-24)18-10-5-2-6-11-18/h1-6,8-11,16,19H,7,12-15H2
• InChIKey: SWYJLWFKZMGTEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-benzyl-1,3-thiazole-4-carbonyl)-3-phenylpiperidine
• IUPAC Traditional name: 1-(2-benzyl-1,3-thiazole-4-carbonyl)-3-phenylpiperidine
• Synonyms: 1-[(2-benzyl-1,3-thiazol-4-yl)carbonyl]-3-phenylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.6224275
• LogD (pH = 7.4): 4.622429
• Log P: 4.622429
• Molar Refractivity: 105.6374 cm^3
• Polarizability: 40.37561 Å^3
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.59
• LOG S: -4.91
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 4