N-[3-(furan-2-yl)-3-phenylpropyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

• ChemBase ID: 820501
• Molecular Formular: C19H20N2O2S
• Molecular Mass: 340.4393
• Monoisotopic Mass: 340.12454889
• SMILES: n1c(CC(=O)NCCC(c2occc2)c2ccccc2)csc1C
• Canonical SMILES: O=C(Cc1csc(n1)C)NCCC(c1ccco1)c1ccccc1
• InChI: InChI=1S/C19H20N2O2S/c1-14-21-16(13-24-14)12-19(22)20-10-9-17(18-8-5-11-23-18)15-6-3-2-4-7-15/h2-8,11,13,17H,9-10,12H2,1H3,(H,20,22)
• InChIKey: JYILAIMVHVFXCQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(furan-2-yl)-3-phenylpropyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
• IUPAC Traditional name: N-[3-(furan-2-yl)-3-phenylpropyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
• Synonyms: N-[3-(2-furyl)-3-phenylpropyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.00826
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 3.0548966
• LogD (pH = 7.4): 3.0562372
• Log P: 3.0562544
• Molar Refractivity: 94.4417 cm^3
• Polarizability: 36.327774 Å^3
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.72
• LOG S: -4.0
• Polar Surface Area: 55.13 Å^2
• Rotatable Bonds: 7