N-[3-(4-ethoxyphenyl)propyl]-2-[2-(ethylsulfanyl)-1,3-thiazol-4-yl]acetamide

• ChemBase ID: 544254
• Molecular Formular: C18H24N2O2S2
• Molecular Mass: 364.52536
• Monoisotopic Mass: 364.12792002
• SMILES: n1c(scc1CC(=O)NCCCc1ccc(cc1)OCC)SCC
• Canonical SMILES: CCOc1ccc(cc1)CCCNC(=O)Cc1csc(n1)SCC
• InChI: InChI=1S/C18H24N2O2S2/c1-3-22-16-9-7-14(8-10-16)6-5-11-19-17(21)12-15-13-24-18(20-15)23-4-2/h7-10,13H,3-6,11-12H2,1-2H3,(H,19,21)
• InChIKey: RRUKBVCESCIFGG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(4-ethoxyphenyl)propyl]-2-[2-(ethylsulfanyl)-1,3-thiazol-4-yl]acetamide
• IUPAC Traditional name: N-[3-(4-ethoxyphenyl)propyl]-2-[2-(ethylsulfanyl)-1,3-thiazol-4-yl]acetamide
• Synonyms: N-[3-(4-ethoxyphenyl)propyl]-2-[2-(ethylthio)-1,3-thiazol-4-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.994418
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 4.29469
• LogD (pH = 7.4): 4.2947073
• Log P: 4.2947073
• Molar Refractivity: 101.1313 cm^3
• Polarizability: 39.23016 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 3.64
• LOG S: -4.97
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 10