(2-methoxyethyl)({[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl})[(3-methylthiophen-2-yl)methyl]amine

• ChemBase ID: 461401
• Molecular Formular: C16H25N3O2S
• Molecular Mass: 323.4536
• Monoisotopic Mass: 323.16674806
• SMILES: c1(n(ccn1)CCOC)CN(Cc1c(ccs1)C)CCOC
• Canonical SMILES: COCCN(Cc1sccc1C)Cc1nccn1CCOC
• InChI: InChI=1S/C16H25N3O2S/c1-14-4-11-22-15(14)12-18(7-9-20-2)13-16-17-5-6-19(16)8-10-21-3/h4-6,11H,7-10,12-13H2,1-3H3
• InChIKey: AKVDWZFHZWKDKC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-methoxyethyl)({[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl})[(3-methylthiophen-2-yl)methyl]amine
• IUPAC Traditional name: (2-methoxyethyl)({[1-(2-methoxyethyl)imidazol-2-yl]methyl})[(3-methylthiophen-2-yl)methyl]amine
• Synonyms: (2-methoxyethyl){[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}[(3-methyl-2-thienyl)methyl]amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.7812969
• LogD (pH = 7.4): 2.0409527
• Log P: 2.1498399
• Molar Refractivity: 90.4099 cm^3
• Polarizability: 34.712822 Å^3
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.52
• LOG S: -1.85
• Polar Surface Area: 39.52 Å^2
• Rotatable Bonds: 10