N-[(1S,2S)-2-(benzyloxy)cyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

• ChemBase ID: 614342
• Molecular Formular: C19H24N2O2S
• Molecular Mass: 344.47106
• Monoisotopic Mass: 344.15584902
• SMILES: n1c(CC(=O)N[C@@H]2[C@@H](OCc3ccccc3)CCCC2)csc1C
• Canonical SMILES: O=C(Cc1csc(n1)C)N[C@H]1CCCC[C@@H]1OCc1ccccc1
• InChI: InChI=1S/C19H24N2O2S/c1-14-20-16(13-24-14)11-19(22)21-17-9-5-6-10-18(17)23-12-15-7-3-2-4-8-15/h2-4,7-8,13,17-18H,5-6,9-12H2,1H3,(H,21,22)/t17-,18-/m0/s1
• InChIKey: NOKZHSBMNZCQPM-ROUUACIJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(1S,2S)-2-(benzyloxy)cyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
• IUPAC Traditional name: N-[(1S,2S)-2-(benzyloxy)cyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
• Synonyms: N-[(1S,2S)-2-(benzyloxy)cyclohexyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.2024975
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.2860441
• LogD (pH = 7.4): 3.2873847
• Log P: 3.287402
• Molar Refractivity: 95.1011 cm^3
• Polarizability: 37.198124 Å^3
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 1
• Log P: 2.64
• LOG S: -3.97
• Polar Surface Area: 51.22 Å^2
• Rotatable Bonds: 6