3-(1-methyl-1H-imidazol-2-yl)-6-{2-[(4-methylpiperazin-1-yl)methyl]phenoxy}pyridazine

• ChemBase ID: 426463
• Molecular Formular: C20H24N6O
• Molecular Mass: 364.44416
• Monoisotopic Mass: 364.20115942
• SMILES: c1(c2nnc(Oc3c(CN4CCN(CC4)C)cccc3)cc2)n(ccn1)C
• Canonical SMILES: CN1CCN(CC1)Cc1ccccc1Oc1ccc(nn1)c1nccn1C
• InChI: InChI=1S/C20H24N6O/c1-24-11-13-26(14-12-24)15-16-5-3-4-6-18(16)27-19-8-7-17(22-23-19)20-21-9-10-25(20)2/h3-10H,11-15H2,1-2H3
• InChIKey: BZKLZDNBBJQPAX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(1-methyl-1H-imidazol-2-yl)-6-{2-[(4-methylpiperazin-1-yl)methyl]phenoxy}pyridazine
• IUPAC Traditional name: 3-(1-methylimidazol-2-yl)-6-{2-[(4-methylpiperazin-1-yl)methyl]phenoxy}pyridazine
• Synonyms: 3-(1-methyl-1H-imidazol-2-yl)-6-{2-[(4-methylpiperazin-1-yl)methyl]phenoxy}pyridazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -0.34702566
• LogD (pH = 7.4): 1.4238268
• Log P: 2.174891
• Molar Refractivity: 117.4926 cm^3
• Polarizability: 41.105206 Å^3
• Polar Surface Area: 59.31 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.34
• LOG S: -1.99
• Polar Surface Area: 59.31 Å^2
• Rotatable Bonds: 5