2-[4-(dimethylamino)-6-oxo-1,6-dihydropyridazin-1-yl]-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide

• ChemBase ID: 588504
• Molecular Formular: C19H26N4O3
• Molecular Mass: 358.43474
• Monoisotopic Mass: 358.20049071
• SMILES: n1(c(=O)cc(cn1)N(C)C)CC(=O)N(C(Cc1c(OC)cccc1)C)C
• Canonical SMILES: COc1ccccc1CC(N(C(=O)Cn1ncc(cc1=O)N(C)C)C)C
• InChI: InChI=1S/C19H26N4O3/c1-14(10-15-8-6-7-9-17(15)26-5)22(4)19(25)13-23-18(24)11-16(12-20-23)21(2)3/h6-9,11-12,14H,10,13H2,1-5H3
• InChIKey: RYFQMNAKXLYZKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(dimethylamino)-6-oxo-1,6-dihydropyridazin-1-yl]-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide
• IUPAC Traditional name: 2-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-[1-(2-methoxyphenyl)propan-2-yl]-N-methylacetamide
• Synonyms: 2-[4-(dimethylamino)-6-oxopyridazin-1(6H)-yl]-N-[2-(2-methoxyphenyl)-1-methylethyl]-N-methylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.615443
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.99275714
• LogD (pH = 7.4): 0.9927573
• Log P: 0.9927573
• Molar Refractivity: 102.5016 cm^3
• Polarizability: 38.265198 Å^3
• Polar Surface Area: 65.45 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.22
• LOG S: -2.85
• Polar Surface Area: 67.67 Å^2
• Rotatable Bonds: 7