3-ethoxy-6-[(7-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)methyl]pyridazine

• ChemBase ID: 745431
• Molecular Formular: C17H20N2O3
• Molecular Mass: 300.3523
• Monoisotopic Mass: 300.14739251
• SMILES: c12OCC(Cc1ccc(c2)OC)Cc1nnc(cc1)OCC
• Canonical SMILES: CCOc1ccc(nn1)CC1COc2c(C1)ccc(c2)OC
• InChI: InChI=1S/C17H20N2O3/c1-3-21-17-7-5-14(18-19-17)9-12-8-13-4-6-15(20-2)10-16(13)22-11-12/h4-7,10,12H,3,8-9,11H2,1-2H3
• InChIKey: WVIHLINJZSVUPI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-ethoxy-6-[(7-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)methyl]pyridazine
• IUPAC Traditional name: 3-ethoxy-6-[(7-methoxy-3,4-dihydro-2H-1-benzopyran-3-yl)methyl]pyridazine
• Synonyms: 3-ethoxy-6-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]pyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.5556684
• LogD (pH = 7.4): 2.5557723
• Log P: 2.5557737
• Molar Refractivity: 84.8705 cm^3
• Polarizability: 32.183647 Å^3
• Polar Surface Area: 53.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.98
• LOG S: -3.94
• Polar Surface Area: 53.47 Å^2
• Rotatable Bonds: 5