1-(2-methoxyphenyl)-2,2-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)piperazine

• ChemBase ID: 556363
• Molecular Formular: C17H23N3OS
• Molecular Mass: 317.44902
• Monoisotopic Mass: 317.15618337
• SMILES: c1(nc(cs1)C)N1CC(N(c2c(OC)cccc2)CC1)(C)C
• Canonical SMILES: COc1ccccc1N1CCN(CC1(C)C)c1scc(n1)C
• InChI: InChI=1S/C17H23N3OS/c1-13-11-22-16(18-13)19-9-10-20(17(2,3)12-19)14-7-5-6-8-15(14)21-4/h5-8,11H,9-10,12H2,1-4H3
• InChIKey: BAIUDKLRDLCCBG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-methoxyphenyl)-2,2-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)piperazine
• IUPAC Traditional name: 1-(2-methoxyphenyl)-2,2-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)piperazine
• Synonyms: 1-(2-methoxyphenyl)-2,2-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)piperazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.8319368
• LogD (pH = 7.4): 3.833404
• Log P: 3.833423
• Molar Refractivity: 91.8286 cm^3
• Polarizability: 34.564342 Å^3
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.01
• LOG S: -5.52
• Polar Surface Area: 28.6 Å^2
• Rotatable Bonds: 3