N-(3-methoxypropyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(4-methylphenyl)methyl]acetamide

• ChemBase ID: 582489
• Molecular Formular: C18H24N2O2S
• Molecular Mass: 332.46036
• Monoisotopic Mass: 332.15584902
• SMILES: n1c(CC(=O)N(Cc2ccc(cc2)C)CCCOC)csc1C
• Canonical SMILES: COCCCN(C(=O)Cc1csc(n1)C)Cc1ccc(cc1)C
• InChI: InChI=1S/C18H24N2O2S/c1-14-5-7-16(8-6-14)12-20(9-4-10-22-3)18(21)11-17-13-23-15(2)19-17/h5-8,13H,4,9-12H2,1-3H3
• InChIKey: PRRDEIOZMJCRMF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(3-methoxypropyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(4-methylphenyl)methyl]acetamide
• IUPAC Traditional name: N-(3-methoxypropyl)-2-(2-methyl-1,3-thiazol-4-yl)-N-[(4-methylphenyl)methyl]acetamide
• Synonyms: N-(3-methoxypropyl)-N-(4-methylbenzyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.668633
• LogD (pH = 7.4): 2.6699731
• Log P: 2.6699903
• Molar Refractivity: 93.821 cm^3
• Polarizability: 36.008945 Å^3
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 2.58
• LOG S: -3.61
• Polar Surface Area: 42.43 Å^2
• Rotatable Bonds: 7