N-{3-[6-(propan-2-yloxy)pyridazin-3-yl]phenyl}acetamide

• ChemBase ID: 857784
• Molecular Formular: C15H17N3O2
• Molecular Mass: 271.31438
• Monoisotopic Mass: 271.1320768
• SMILES: n1nc(OC(C)C)ccc1c1cc(NC(=O)C)ccc1
• Canonical SMILES: CC(=O)Nc1cccc(c1)c1ccc(nn1)OC(C)C
• InChI: InChI=1S/C15H17N3O2/c1-10(2)20-15-8-7-14(17-18-15)12-5-4-6-13(9-12)16-11(3)19/h4-10H,1-3H3,(H,16,19)
• InChIKey: NJJQESJHMQRFOY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{3-[6-(propan-2-yloxy)pyridazin-3-yl]phenyl}acetamide
• IUPAC Traditional name: N-[3-(6-isopropoxypyridazin-3-yl)phenyl]acetamide
• Synonyms: N-[3-(6-isopropoxy-3-pyridazinyl)phenyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.111805
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 2.2567508
• LogD (pH = 7.4): 2.2567585
• Log P: 2.2567587
• Molar Refractivity: 79.3357 cm^3
• Polarizability: 30.581558 Å^3
• Polar Surface Area: 64.11 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.16
• LOG S: -3.02
• Polar Surface Area: 64.11 Å^2
• Rotatable Bonds: 4