N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-[4-(dimethylamino)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide

• ChemBase ID: 510148
• Molecular Formular: C18H20ClFN4O2
• Molecular Mass: 378.8284032
• Monoisotopic Mass: 378.1258818
• SMILES: n1(c(=O)cc(cn1)N(C)C)CC(=O)N(Cc1c(F)cccc1Cl)C1CC1
• Canonical SMILES: CN(c1cnn(c(=O)c1)CC(=O)N(C1CC1)Cc1c(F)cccc1Cl)C
• InChI: InChI=1S/C18H20ClFN4O2/c1-22(2)13-8-17(25)24(21-9-13)11-18(26)23(12-6-7-12)10-14-15(19)4-3-5-16(14)20/h3-5,8-9,12H,6-7,10-11H2,1-2H3
• InChIKey: SKYALGWOGVVWDF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-[4-(dimethylamino)-6-oxo-1,6-dihydropyridazin-1-yl]acetamide
• IUPAC Traditional name: N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-2-[4-(dimethylamino)-6-oxopyridazin-1-yl]acetamide
• Synonyms: N-(2-chloro-6-fluorobenzyl)-N-cyclopropyl-2-[4-(dimethylamino)-6-oxo-1(6H)-pyridazinyl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.5361
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6575035
• LogD (pH = 7.4): 1.6575035
• Log P: 1.6575035
• Molar Refractivity: 99.097 cm^3
• Polarizability: 36.6419 Å^3
• Polar Surface Area: 56.22 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 0.93
• LOG S: -2.75
• Polar Surface Area: 58.44 Å^2
• Rotatable Bonds: 6