2-methoxy-6-(3-methylpyrazin-2-yl)-N,N-bis(propan-2-yl)benzamide

• ChemBase ID: 558217
• Molecular Formular: C19H25N3O2
• Molecular Mass: 327.4207
• Monoisotopic Mass: 327.19467706
• SMILES: C(=O)(c1c(c2nccnc2C)cccc1OC)N(C(C)C)C(C)C
• Canonical SMILES: COc1cccc(c1C(=O)N(C(C)C)C(C)C)c1nccnc1C
• InChI: InChI=1S/C19H25N3O2/c1-12(2)22(13(3)4)19(23)17-15(8-7-9-16(17)24-6)18-14(5)20-10-11-21-18/h7-13H,1-6H3
• InChIKey: QQKUWCJNAYVBQE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methoxy-6-(3-methylpyrazin-2-yl)-N,N-bis(propan-2-yl)benzamide
• IUPAC Traditional name: N,N-diisopropyl-2-methoxy-6-(3-methylpyrazin-2-yl)benzamide
• Synonyms: N,N-diisopropyl-2-methoxy-6-(3-methylpyrazin-2-yl)benzamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.3894143
• LogD (pH = 7.4): 2.3894336
• Log P: 2.3894339
• Molar Refractivity: 94.7697 cm^3
• Polarizability: 37.665764 Å^3
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.42
• LOG S: -3.65
• Polar Surface Area: 55.32 Å^2
• Rotatable Bonds: 5