4-(2-methoxyphenoxy)-1-(2-methyl-1,3-thiazole-4-carbonyl)piperidine

• ChemBase ID: 490616
• Molecular Formular: C17H20N2O3S
• Molecular Mass: 332.4173
• Monoisotopic Mass: 332.11946351
• SMILES: c1(nc(sc1)C)C(=O)N1CCC(Oc2c(OC)cccc2)CC1
• Canonical SMILES: COc1ccccc1OC1CCN(CC1)C(=O)c1csc(n1)C
• InChI: InChI=1S/C17H20N2O3S/c1-12-18-14(11-23-12)17(20)19-9-7-13(8-10-19)22-16-6-4-3-5-15(16)21-2/h3-6,11,13H,7-10H2,1-2H3
• InChIKey: IJAAEGSVVSQLPV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.933483
• LogD (pH = 7.4): 1.933486
• Log P: 1.933486
• Molar Refractivity: 88.6543 cm^3
• Polarizability: 34.01521 Å^3
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.33
• LOG S: -2.76
• Polar Surface Area: 51.66 Å^2
• Rotatable Bonds: 4