N-methyl-2-phenyl-N-(pyrazin-2-ylmethyl)benzamide

• ChemBase ID: 727293
• Molecular Formular: C19H17N3O
• Molecular Mass: 303.35778
• Monoisotopic Mass: 303.13716218
• SMILES: C(=O)(c1c(c2ccccc2)cccc1)N(Cc1nccnc1)C
• Canonical SMILES: CN(C(=O)c1ccccc1c1ccccc1)Cc1cnccn1
• InChI: InChI=1S/C19H17N3O/c1-22(14-16-13-20-11-12-21-16)19(23)18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-13H,14H2,1H3
• InChIKey: PJAXCLFNEJPCPW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methyl-2-phenyl-N-(pyrazin-2-ylmethyl)benzamide
• IUPAC Traditional name: N-methyl-2-phenyl-N-(pyrazin-2-ylmethyl)benzamide
• Synonyms: N-methyl-N-(pyrazin-2-ylmethyl)biphenyl-2-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.2890608
• LogD (pH = 7.4): 2.2890637
• Log P: 2.2890637
• Molar Refractivity: 89.8426 cm^3
• Polarizability: 35.633144 Å^3
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 3
• H Donor: 0
• Log P: 1.17
• LOG S: -2.41
• Polar Surface Area: 46.09 Å^2
• Rotatable Bonds: 4