1-ethyl-2-(5-methyl-1-benzofuran-2-carbonyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine

• ChemBase ID: 409148
• Molecular Formular: C19H20N2O2
• Molecular Mass: 308.3743
• Monoisotopic Mass: 308.15247789
• SMILES: N1(C(=O)c2oc3c(c2)cc(cc3)C)C(c2n(ccc2)CC1)CC
• Canonical SMILES: CCC1N(CCn2c1ccc2)C(=O)c1cc2c(o1)ccc(c2)C
• InChI: InChI=1S/C19H20N2O2/c1-3-15-16-5-4-8-20(16)9-10-21(15)19(22)18-12-14-11-13(2)6-7-17(14)23-18/h4-8,11-12,15H,3,9-10H2,1-2H3
• InChIKey: LKSINLAIBLIEGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-2-(5-methyl-1-benzofuran-2-carbonyl)-1H,2H,3H,4H-pyrrolo[1,2-a]pyrazine
• IUPAC Traditional name: 1-ethyl-2-(5-methyl-1-benzofuran-2-carbonyl)-1H,3H,4H-pyrrolo[1,2-a]pyrazine
• Synonyms: 1-ethyl-2-[(5-methyl-1-benzofuran-2-yl)carbonyl]-1,2,3,4-tetrahydropyrrolo[1,2-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.579391
• LogD (pH = 7.4): 3.579391
• Log P: 3.579391
• Molar Refractivity: 89.809 cm^3
• Polarizability: 35.094067 Å^3
• Polar Surface Area: 38.38 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 2
• H Donor: 0
• Log P: 3.57
• LOG S: -4.5
• Polar Surface Area: 38.38 Å^2
• Rotatable Bonds: 2