N-[2-(4-methoxyphenyl)ethyl]-2-[4-(6-oxo-1,6-dihydropyridazin-4-yl)piperazin-1-yl]acetamide

• ChemBase ID: 564959
• Molecular Formular: C19H25N5O3
• Molecular Mass: 371.4335
• Monoisotopic Mass: 371.19573969
• SMILES: c1c(N2CCN(CC(=O)NCCc3ccc(cc3)OC)CC2)cn[nH]c1=O
• Canonical SMILES: COc1ccc(cc1)CCNC(=O)CN1CCN(CC1)c1cn[nH]c(=O)c1
• InChI: InChI=1S/C19H25N5O3/c1-27-17-4-2-15(3-5-17)6-7-20-19(26)14-23-8-10-24(11-9-23)16-12-18(25)22-21-13-16/h2-5,12-13H,6-11,14H2,1H3,(H,20,26)(H,22,25)
• InChIKey: QMPNGIIKJZLAJC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[2-(4-methoxyphenyl)ethyl]-2-[4-(6-oxo-1,6-dihydropyridazin-4-yl)piperazin-1-yl]acetamide
• IUPAC Traditional name: N-[2-(4-methoxyphenyl)ethyl]-2-[4-(6-oxo-1H-pyridazin-4-yl)piperazin-1-yl]acetamide
• Synonyms: N-[2-(4-methoxyphenyl)ethyl]-2-[4-(6-oxo-1,6-dihydropyridazin-4-yl)piperazin-1-yl]acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 10.379429
• H Acceptors: 6
• H Donor: 2
• LogD (pH = 5.5): -1.0117971
• LogD (pH = 7.4): -0.0698128
• Log P: -0.024050256
• Molar Refractivity: 104.3395 cm^3
• Polarizability: 39.07204 Å^3
• Polar Surface Area: 86.27 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.3
• LOG S: -3.48
• Polar Surface Area: 90.56 Å^2
• Rotatable Bonds: 7