2-(2-chloro-6-fluorophenyl)-N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylacetamide

• ChemBase ID: 430638
• Molecular Formular: C16H18ClFN2OS
• Molecular Mass: 340.8433232
• Monoisotopic Mass: 340.08124011
• SMILES: c1(nc(sc1C)C)C(N(C(=O)Cc1c(F)cccc1Cl)C)C
• Canonical SMILES: Cc1nc(c(s1)C)C(N(C(=O)Cc1c(F)cccc1Cl)C)C
• InChI: InChI=1S/C16H18ClFN2OS/c1-9(16-10(2)22-11(3)19-16)20(4)15(21)8-12-13(17)6-5-7-14(12)18/h5-7,9H,8H2,1-4H3
• InChIKey: DIVLCUSRTPGZLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(2-chloro-6-fluorophenyl)-N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylacetamide
• IUPAC Traditional name: 2-(2-chloro-6-fluorophenyl)-N-[1-(dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylacetamide
• Synonyms: 2-(2-chloro-6-fluorophenyl)-N-[1-(2,5-dimethyl-1,3-thiazol-4-yl)ethyl]-N-methylacetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.797293
• LogD (pH = 7.4): 3.8005364
• Log P: 3.8005779
• Molar Refractivity: 87.2921 cm^3
• Polarizability: 33.234917 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: 2.67
• LOG S: -3.97
• Polar Surface Area: 33.2 Å^2
• Rotatable Bonds: 4