2-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-5-methylpyrazine

• ChemBase ID: 513902
• Molecular Formular: C19H24N4O2
• Molecular Mass: 340.41946
• Monoisotopic Mass: 340.18992603
• SMILES: N1(C(CN(C(=O)c2ncc(nc2)C)CC1)(C)C)c1c(OC)cccc1
• Canonical SMILES: COc1ccccc1N1CCN(CC1(C)C)C(=O)c1cnc(cn1)C
• InChI: InChI=1S/C19H24N4O2/c1-14-11-21-15(12-20-14)18(24)22-9-10-23(19(2,3)13-22)16-7-5-6-8-17(16)25-4/h5-8,11-12H,9-10,13H2,1-4H3
• InChIKey: LHSCEJMHXMNREH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-5-methylpyrazine
• IUPAC Traditional name: 2-[4-(2-methoxyphenyl)-3,3-dimethylpiperazine-1-carbonyl]-5-methylpyrazine
• Synonyms: 2-{[4-(2-methoxyphenyl)-3,3-dimethyl-1-piperazinyl]carbonyl}-5-methylpyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.6305952
• LogD (pH = 7.4): 1.6308311
• Log P: 1.6308341
• Molar Refractivity: 96.9043 cm^3
• Polarizability: 36.718983 Å^3
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.58
• LOG S: -3.03
• Polar Surface Area: 58.56 Å^2
• Rotatable Bonds: 3