{2-[(6-ethoxypyridazin-3-yl)oxy]hex-5-en-1-yl}(methyl)(pyridin-3-ylmethyl)amine

• ChemBase ID: 502949
• Molecular Formular: C19H26N4O2
• Molecular Mass: 342.43534
• Monoisotopic Mass: 342.20557609
• SMILES: n1nc(ccc1OC(CN(Cc1cnccc1)C)CCC=C)OCC
• Canonical SMILES: C=CCCC(Oc1ccc(nn1)OCC)CN(Cc1cccnc1)C
• InChI: InChI=1S/C19H26N4O2/c1-4-6-9-17(15-23(3)14-16-8-7-12-20-13-16)25-19-11-10-18(21-22-19)24-5-2/h4,7-8,10-13,17H,1,5-6,9,14-15H2,2-3H3
• InChIKey: PVXMPLZGISRJPY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {2-[(6-ethoxypyridazin-3-yl)oxy]hex-5-en-1-yl}(methyl)(pyridin-3-ylmethyl)amine
• IUPAC Traditional name: {2-[(6-ethoxypyridazin-3-yl)oxy]hex-5-en-1-yl}(methyl)(pyridin-3-ylmethyl)amine
• Synonyms: 2-[(6-ethoxypyridazin-3-yl)oxy]-N-methyl-N-(pyridin-3-ylmethyl)hex-5-en-1-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 6
• H Donor: 0
• LogD (pH = 5.5): 0.33782178
• LogD (pH = 7.4): 2.110007
• Log P: 3.0558758
• Molar Refractivity: 100.7301 cm^3
• Polarizability: 38.29929 Å^3
• Polar Surface Area: 60.37 Å^2
• Rotatable Bonds: 11
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.45
• LOG S: -2.33
• Polar Surface Area: 60.37 Å^2
• Rotatable Bonds: 11