2-(3,4-dimethyl-6-oxo-1,6-dihydropyridazin-1-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide

• ChemBase ID: 598780
• Molecular Formular: C19H20N4O2S
• Molecular Mass: 368.4527
• Monoisotopic Mass: 368.1306969
• SMILES: n1(nc(c(cc1=O)C)C)CC(=O)N(Cc1nc(sc1)c1ccccc1)C
• Canonical SMILES: O=C(N(Cc1csc(n1)c1ccccc1)C)Cn1nc(C)c(cc1=O)C
• InChI: InChI=1S/C19H20N4O2S/c1-13-9-17(24)23(21-14(13)2)11-18(25)22(3)10-16-12-26-19(20-16)15-7-5-4-6-8-15/h4-9,12H,10-11H2,1-3H3
• InChIKey: PZSYWGRFLDHQBT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3,4-dimethyl-6-oxo-1,6-dihydropyridazin-1-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
• IUPAC Traditional name: 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide
• Synonyms: 2-(3,4-dimethyl-6-oxo-1(6H)-pyridazinyl)-N-methyl-N-[(2-phenyl-1,3-thiazol-4-yl)methyl]acetamide

CALCULATED PROPERTIES

供应商提供(Chembridge)

• H Donor: 0
• Log P: 1.65
• LOG S: -3.29
• Polar Surface Area: 68.09 Å^2
• Rotatable Bonds: 5
• H Acceptors: 4

JChem

• LogD (pH = 5.5): 1.930122
• LogD (pH = 7.4): 1.9302285
• Log P: 1.9302298
• Molar Refractivity: 111.7918 cm^3
• Polarizability: 38.971714 Å^3
• Polar Surface Area: 65.87 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true
• Acid pKa: 15.587181
• H Acceptors: 4
• H Donor: 0